MOL2NET'17, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 3rd ed.

Part of the MOL2NET, Conference Series on Molecular, Biomedical & Computational Sciences and Engineering series

Chemistry, Computer Science, Biomedical Engineering, Nanotechnology, Regulatory Affairs, Artificial Intelligence, Materials Science, Pharmaceutical Sciences, Science

MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), 2018, Vol. 3, 679 pp.

Welcome from the Chair

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Welcome From Chairs

Dear colleagues worldwide, we invite you to MOL2NET-03, Conference on Molecular, Biomedical, and Computational Sciences and Engineering (Formerly International Conference on Multidisciplinary Sciences), ISSN: 2624-5078, MDPI SciForum, Basel, Switzerland, 2017. MOL2NET is an international conference formed by an association of several inter-university tansatlantic workshops or sessions. These workshops are chaired by one USA-Europe based host chairperson and one or various co-host chairpersons from other centers worldwide. The conference runs as year-round conference series with two main stages. These stages are: (1) Call for papers and (2) Post-publication reviews. In the first stage we open independent workshops in person and/or online, receive papers, do pre-publication review of papers, and perform online publication. Please, read the [MOL2NET Publication Schedule]. Consequently, submissions are open to be published asap upon acceptance in Sciforum platform almost all year at no cost for authors (year-round and free of cost publication). Depending on the schedule we also run a second stage called [MOL2NET Post-Publication Schedule]. On the Post-publication stage we close submission of papers and invite all members of committee, authors, and validated social network followers, to become post-publication reviewers. In this moment members of all workshops can interact together on brain-storming sessions making online comments each other.

Headquarters and Supporters

MOL2NET runs both online and/or in person workshops in host universities worldwide and at the SciForum platform maintained by the editorial MDPI, Basel, Switzerland. The idea of this multidisciplinary conference emerged from the melting pot formed as the result of multiple collaborations of professors from many centers worldwide.

International Partners. Internationally, professors and researchers from Center for the Study of Biological Complexity (CBDS) of Virginia Commonwealth University (VCU), USA; Natural Resources Research Institute (NRRI), University of Minesota (UMN), USA; Miami Dade College (MDC), USA; North Dakota State University (NDSU), USA; Centre National de la Recherche Scientifique (CNRS) and Université Paris-Saclay (UPS), Paris, France, European Bioinformatics Institute (EMBL-EBI) Cambridge, United Kingdom, Universität Rostock Institut für Chemie (UROSTOCK), Germany; and other institutions are co-founders and/or supporters of this conference.

Local Headquarters and Partners. The Scientific Headquarters (HQs) of this conference series are in the Faculty of Science and Technology, University of Basque Country (UPV/EHU), Basque Country, Spain. This center is also the host of some of the workshops of the conference. More specifically, the founders and strongest supporters of the conference are professors endowed by IKERBASQUE, Basque Foundation for Sciences (IKERBASQUE), professors from the Department of Organic & Inorganic Chemistry, Department of Organic Chemistry, and Basque Centre for Biophysics (BIOFISIKA) of the University of Basque Country (UPV/EHU), and Center for Cooperative Research in Biosciences (CICBIOGUNE), Basque Country, Spain. In addition, act also as local co-hosting partners professors from the Department of Computer Sciences of the University of Coruña (UDC), Galicia, Spain. Please, see full committees lists [MOL2NET HONOR & SCI COMMITTEE] and [MOL2NET-IKERBASQUE Staff]. In this sense, all these and other local and international centers acts as co-hosting partners for some of the workshop sessions of this conference.

MOL2NET Lemma and Topics of Interest. The acronym MOL2NET summarizes the running title of this conference: FROM MOLECULES TO NETWORKS. This lemma is inspired by the possibility of spreading the knowledge about multiple topics by promoting multidisciplinary collaborations in science with conferences including topics ranging from quantum world to large social networks. In this sense, the spirit of this conference is in consonance with the lemma EMAN TA ZABAL ZAZU (Give and extend knowledge). This anthem from the 19th century is written in Basque language (Euskera) and is used now a days as the official motto of the University of Basque Country (UPV/EHU).

As results the topics of interest are wide, as is typical on multi-disciplinary sciences, and range from the study of small molecules phenomena to the behavior of large complex networks in nature and society. This include but is not limited to, Chemistry (All areas), Mathematics (Applied), Physics (Applied), Materials Science, Nanotechnology, Biology and Life Sciences (All areas), Medicine, Biomedical Engineering, Education, along with Computer Sciences, Data Analysis, Statistics, Artificial Intelligence, Deep Learning, Bioinformatics, Systems Biology, and Complex Networks Sciences. We suggest you to download the [MOL2NET 2020 Template.doc] to write your communications for conference workshops. Whoever, some other workshops of the series have their custom templates. Please, read carefully the [Instructions to authors] about publication model, copyright, authors responsibilities, etc.

MOL2NET Sessions Workshops. You can participate both online or in person (face-to-face) in some of the workshops we organize in different universities worldwide (see sessions in the conference menu). Publication of all communications of the workshops will be online via the platform SciForum. We welcome proposals for organization of workshops in different universities. Please, do not hesitate to contact conference chairperson and/or scientific committee presidents. See also a list of workshops/sessions running this year.

01. CHEMXEDIT-03, Chem. Exp., Edu., & Info. Tech., Bilbao, Spain-Paris, France-Miami, USA, 2017
02. CHEMBIOMOL-03: Chem. Biol. & Med. Chem. Workshop, Rostock, Germany-Bilbao, Spain-Galveston, Texas, USA, 2017
03. USEDAT-03: USA-EU Data Analysis Training Prog. Work., Cambridge, UK-Bilbao, Spain-Duluth, USA, 2017
04. SRI-09: 9th Summer Research Institute Symposium, STU-MDC, Miami, USA, 2017
11. NANOBIOMATJND-02: JSU-NDSU Nanotech. & Mat. Sci. Workshop, Jackson & Fargo, USA, 2017
07. NIXMSM-03: North-Ibero-Am. Exp., Model. & Simul. Meth. Work., Valencia, Bilbao, Spain-Paraiba, Brasil-Miami, USA, 2017
08. LAWSCI-01: Challenges in Law, Technology, Life, and Social Sciences, UPV/EHU, Bilbao, Spain, 2017
09. MODECO-02: Workshop on Molecular Diversity & Ecosystems, Puyo, Ecuador-Porto, Portugal, 2017
10. EJIBCE-01; Meeting of Young Researchers in Structural Computational Biology, UC, Coimbra, Portugal, 2017

MOL2NET-MDPI JCR Journals Issues

In parallel, the members of committees and/or authors are encouraged to edit special issues for different journals of the editorial MDPI (https://www.mdpi.com/). The special issue is now in call for papers, submissions are welcome in a posteriori, in parallel, or totally independently from the conference. Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. In order to send a proposal of associated workshop and/or special issue contact the chairperson of the conference Prof. González-Díaz H. IIKERBASQUE Prof., University of the Basque Country (UPV/EHU), Biscay, Basque Country, Spain. Email: [email protected]. Please, check here [MOL2NET-MDPI JCR Journal Issues] details about the special issues, titles, editors, and a list of past and present special issues and selected papers associated to our conference.

Thank You For Your Support!!!

MOL2NET & USEDAT Chairman

Prof. González-Díaz H., IKERBASQUE Professor, ORCID iD icon

https://orcid.org/0000-0002-9392-2797, Email: [email protected]
(1) Dept. of Organic and Inorganic Chemistry and Basque Center for Biophysics, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain. (2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.

Conference Organizers

Humbert G. Díaz

Dept. of Organic Chemistry & Inorganic Chemistry, University of the Basque Country UPV/EHU , 48940, Leioa.

Conference Chairs

Prof. Dr. Humbert G. Díaz

Dept. of Organic Chemistry & Inorganic Chemistry, University of the Basque Country UPV/EHU , 48940, Leioa.

MOL2NET'17 CONGRESSES

00. Editorial & Proceedings Book
01. CHEMBIOINFO-03: Chem-Bioinformatics Congress Cambridge, UK-Chapel Hill and Richmond, USA, 2017
02. CHEMBIOMOL-03: Chem. Biol. & Med. Chem. Workshop, Rostock, Germany-Bilbao, Spain-Galveston, Texas, USA, 2017
03. USEDAT-03: USA-EU Data Analysis Training Prog. Work., Cambridge, UK-Bilbao, Spain-Duluth, USA, 2017
04. SRI-09: 9th Summer Research Institute Symposium, STU-MDC, Miami, USA, 2017
11. NANOBIOMATJND-03: JSU-NDSU Nanotech. & Mat. Sci. Workshop, Jackson & Fargo, USA, 2017
08. TECHLAWSCI-01: PANELFIT & NKL H2020 Tech. Law. & Sci. Challenges, Bilbao, Spain, Halden, Norway, Baltimore, USA, 2017
09. MODECO-02: Workshop on Molecular Diversity & Ecosystems, Puyo, Ecuador-Porto, Portugal, 2017
10. EJIBCE-01; Meeting of Young Researchers in Structural Computational Biology, UC, Coimbra, Portugal, 2017
06. notused
12. session-12
13. session-13
14. session-14
07. NIXMSM-03: North-Ibero-Am. Exp., Model. & Simul. Meth. Work., Valencia, Bilbao, Spain-Paraiba, Brasil-Miami, USA, 2017
11. no used

Instructions for Authors

Notes to Authors

The MOL2NET conference runs both online (general sections) and/or in person (associated workshops); no physical presence is needed for online participation saving traveling costs. We accept experimental works, theoretical works, or experimental-theoretic works in the areas mentioned. Proceedings will be Published Online, Open Access, and Totally Free of Charges (no cost). For details about in person (face-to-face) participation on associated workshops contact the respective members of the local committees.

Before to submit your communication recommend to download and use the template file below to write your communication; we strongly recommend you to read carefully the following notes to participants about publication model, copyright, authors responsibilities, etc.

Before to submit your work be aware that the works published here belongs to two main modalities preliminary communications or comments on previous works.

Preliminary communications are not post-print journal papers. In this sense, committee and/or external reviewers check only scope and apparent scientific soundness. They have the same editorial process than for an online Preprint service. Therefore, all works receive doi number and are indexed in databases (GoogleScholar, Publons, etc.).The works may receive also comments from registered participants (public post-publication review). The authors are encouraged to submit their works to a peer-reviewed scientific journals of MDPI or other editorials during or after finalization of the conference, as per SciForum copyright rules.

Research Highlights are comments on previous works, they are short notes devoted to comment about the more interesting points, update some topics, highlights, etc. of works previously published by the authors or other groups. In this case, committee and/or external reviewers check also only scope and apparent scientific soundness. The works may receive also comments from registered participants (public post-publication review).

In any case, it is the duty and responsibility of the authors solely, to ensure the veracity of the contents, checking similarity to other works, and carry out a proper citation of previous works. The committee is not responsible of this previous aspects in this publishing modality. In this sense, we strongly recommend the authors to use online text-similarity checking services to avoid any form of plagiarism or copyright violation. The authors may be requested to modify the communication (re-write their texts) in the case that high similarity is detected and reported to the committee. In these cases, the manuscript could be put on standby or withdrawn temporarily until the authors re-submit the proper version. The authors are also allowed to submit short reviews, comments, letters, or discussions of papers already published if they guarantee sufficient difference to previous public contents.

mol2net_03_MOL2NET_2017_template.docx

List of accepted submissions (175)

Id	Title	Authors
sciforum-016742	Genetics of Hypertension Valerie Puig , Melissa Cueto Submitted: 09 Jan 2018 Abstract: Show Abstract	Valerie Puig , Melissa Cueto	Show Abstract
Review of the literature helped to establish hypertension as a multifactorial disease, meaning that malfunctions in certain genes predispose individuals to developing the condition but the genes are not particularly dominant and the expression of the final phenotype is heavily influenced by the patient’s lifestyle and environment. There is also a disparity concerning the prevalence of chronic illness between individuals of a lower and higher socioeconomic status. It has been shown that people coming from low socioeconomic backgrounds are disadvantaged in terms of disease management. In this study, 30 Zucker rats were used in the first trials of a medication for patients genetically predisposed to hypertension who struggle to manage their condition. The test subjects were separated into 3 groups: a control group who merely got fed twice a day, group 2 who got fed twice a day and received the medication with their first meal, and group 3 who were fed twice a day and received the medication with both meals. The results showed that the test subjects that received the lower dosage did have a decrease in blood pressure although it was slower and less stable compared to the rats that received the higher dosage. Studies must still be conducted although the medication has been deemed safe enough to continue on to the next phase: non-human primates. The hope is that within 5 years, through government assistance such as grants, the medication will be distributed throughout community health centers for the at-risk patient base.
sciforum-016022	Molecular docking studies of benzothiazinone derivatives in the search for new tuberculostatic agents Jéssika Viana , Marcus Scotti , Luciana Scotti Submitted: 03 Dec 2017 Abstract: Show Abstract	Jéssika Viana , Marcus Scotti , Luciana Scotti	Show Abstract
Despite the efforts to reduce the rate of infection, the resurgence of Tuberculosis, accompanied by strains of Mycobacterium tuberculosis, calls attention to the search for new drugs that can bypass resistance mechanisms. Among the strategies for the development of antitubercular lead compounds, benzothiazinones (BTZ) are included, with highly selective mechanism of action of DprE1 flavoenzyme. We studied four compounds in the antituberculosis activity (IC₅₀ values between 0.029 - 0.060 μg/ml). These derivatives were subjected to energy minimization and Molecular Docking calculations in the software Molegro Virtual Docker, from which the binding free energy calculations showed that the suggested compounds had better binding affinity with DprE1 when compared to PBTZ169, a crystallized inhibitor of DprE1. Our results showed that the compounds showed similar crucial binding interactions between the compounds, which may determine that there was molecular rearrangement within the active site itself. Thus, our studies evidenced the probable interactions that favor the activity of the derivatives, as well as other interactions of the compounds with other residues not reported in the literature, and these may act as lead compounds in the development of new antituberculosis drugs.
sciforum-016178	Development of computational tools to enhance the study of catalytic mechanisms Henrique Fernandes , Maria João Ramos , Nuno Cerqueira Submitted: 12 Dec 2017 Abstract: Show Abstract	Henrique Fernandes , Maria João Ramos , Nuno Cerqueira	Show Abstract
Computational methods have been widely used to characterize the catalytic mechanisms of several chemical systems namely enzymes. However, enzymes are studied using big chemical systems containing several thousands of atoms generating huge amounts of data that are hard to manipulate and analyze efficiently. Therefore, we developed molUP that is a user-friendly plugin for VMD to handle QM and ONIOM calculations performed using Gaussian software. MolUP allows loading output files from Gaussian calculations and performs analysis concerning the structure of the chemical system as well as their energies and vibrational frequencies. Furthermore, molUP provides a graphical interface to manipulate the length of atomic bonds and the amplitude of angles and dihedral angles. Users can also easily choose which atoms belong to each ONIOM layer and the atoms that are free to move during a geometry optimization. At the end, molUP is capable of saving the new structure as a new Gaussian input file, ready to run a new calculation. Since molUP is a VMD extension, users can also benefit from the many features and resources available on VMD. In order to demonstrate the potential of MolUP, we will also present the results that have been carried out in our research group regarding the catalytic mechanism of Serine HydroxyMethylTransferase (SHMT), using a QM/MM approach. SHMT is a pyridoxal-5'-phosphate (PLP)-dependent enzyme [1-3] that catalyzes the α-elimination of L-serine, where a methyl group is transferred from the substrate to a second cofactor, tetrahydrofolate (THF). The reaction occurs in six sequential steps from which the first one is the rate-limiting step with an activation barrier of 18.3 kcal/mol that closely fits the experimental k_catof 0.98±0.06 s^-1 [4] (∆G^‡ ≈ 18.2 kcal/mol). This first step involves the nucleophilic attack of nitrogen from THF to the β-carbon of the substrate, promoting the α-elimination of the CH₂OH group of the substrate. The subsequent steps involve an intramolecular cyclization within the THF cofactor where the elimination product of the first step is incorporated, generating the 5,10-methyl-THF. At the end, the quinonoid intermediate (substrate + PLP) is protonated, producing glycine. References: [1] Oliveira, Eduardo F.; Cerqueira, Nuno M. F. S. A.; Fernandes, Pedro A. and Ramos, M.J., Journal of the American Chemical Society 2011, 133, 15496-15505 [2] Cerqueira, N. M. F. S. A.; Fernandes, P. A.; Ramos, M. J., Journal of Chemical Theory and Computation 2011, 7, 1356-1368 [3] Fernandes, H. S.; Ramos, M. J.; Cerqueira, N. M. F. S. A., Chem. Eur. J. 2017, 23, 9162. [4] Sopitthummakhun K.; Maenpuen S.; Yuthavong Y.; Leartsakulpanich U.; Chaiyen P., Febs Journal 2009, 276 (15), 4023-4036.
sciforum-013972	Biotechnology in plants genomics: a legal and bioethics overview. Anisley Negrín Ruiz , Lázaro Pino Rivero Submitted: 30 Aug 2017 Abstract: Show Abstract	Anisley Negrín Ruiz , Lázaro Pino Rivero	Show Abstract
Concepts like bio-security and bioethics have been put into the test whit the rapid advance of the Biotechnology. Specifically the plant’s genome manipulation is worthy to be reconsidered by the ethical and juridical point of views. Plants varieties and products obtained by these new biotechnological methods are important achievements but also can be a risk for the human health and the environment. On the other hand, a monopoly of commercial exploitation for the holder of the patent and other exclusives titles like Certificates of Vegetable Obtaining can leave out the fair access to the technological progresses. In this work we make a valuation about those aspects of Biotechnology related with the genome of the plants and their juridical protection.
sciforum-015895	New Microbiological and Pharmacokinetic models Jose Bueso-Bordils , Pedro Alemán-López , Sara Costa-Piles , Maria Duart , Luis Lahuerta-Zamora , Rafael Martín-Algarra , Gerardo Antón-Fos Submitted: 27 Nov 2017 Abstract: Show Abstract	Jose Bueso-Bordils , Pedro Alemán-López , Sara Costa-Piles , Maria Duart , Luis Lahuerta-Zamora , Rafael Martín-Algarra , Gerardo Antón-Fos	Show Abstract
In this paper, a multilinear regression (MLR) analysis has been carried out in order to accurately predict physicochemical properties and biological activities on a group of antibacterial quinolones by means of a set of structural descriptors called topological indices. The aim of this work is to develop prediction equations for these properties after collecting the maximum number of data from the literature on antibacterial quinolones. The five regression functions selected by presenting the best combination of various statistical parameters, subsequently validated by means of internal validation (intercorrelation, Y-randomization and leave-one-out cross-validation tests), allowed the reliable prediction of minimum inhibitory concentration 50 versus Staphylococcus aureus (MIC50Sa), Streptococcus pyogenes (MIC50Spy) and Bacteroides fragilis (MIC50Bf), mean residence time (MRT) after oral administration and volume of distribution (V_D). We conclude that the combination of molecular topology methods and MLR provides an excellent tool for the prediction of pharmacological properties.

Full List

List of Authors (487)

Yuri Abad Cordero

Wemerson Afonso

Santiago Aguiar-Novillo

Rahul Aher

Saud Ahmad

Jorge Alba

Ana Albert

Kaire Alcivar M.

Reinaldo Alemán

Hadia Almahli

Reynerio Álvarez Borroto

Ander Alvaro

Jans Alzate Morales

Pravin Ambure

Marco Andino

Oleg Andreev

Vicente ARAN

Pablo Ernesto Arias

Honor Advisory Committee

Prof. Jerzy Leszczynski

Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity (ICN), Jackson State University (JSU), USA.

Prof. Dr. Peter Langer

Full Professor (C4) of Organic Chemistry, Vice Director Institute of Chemistry, University of Rostock, Head of the Department of Organic Chemistry. Universität Rostock Institut für Chemie Abteilung für Organische Chemie Albert-Einstein-Straße 3a 18059 Rostock.

Prof. Ernesto Estrada Roger

Department of Mathematics and Statistics, Chair in Complexity Sciences, Institute of Complexity Systems, University of Strathclyde Glasgow, G1 1XQ, UK. Editor-in-Chief of Journal of Complex Networks, Oxford Academic Press.

Prof. Victor M. Preciado

Raj and Neera Singh Term Assistant Professor, Electrical and Systems Engineering (ESE), Penn Engineering, University of Pennsilvania, USA.

Prof. Daniel Graham

Professor of Chemistry, Loyola University of Chicago (LUC), USA.

Prof. Roberto I. Vazquez Padron

Ph.D, D.M., Research Associate Prof. of Surgery, Molecular and Cellular Pharmacology,

Miller School of Medicine, University of Miami, USA.

Prof. Jesús Jimenez Barbero

Ikerbasque Professor, Scientific Director of Center for Cooperative Research in Biosciences (CICBiogune), Bizkaia. President of Royal Society of Chemistry of Spain

Prof. José María Pitarke

Prof. of Condesed Matter Physics, UPV/EHU, Director of Nanomaterials Cooperative Research Center (CICNanoGune), Tolosa Hiribidea, 76, E-20018, Donostia – San Sebastian, Gipuzkoa.

Prof. Luis M Liz-Marzán

Ikerbasque Senior Professor, Scientific Director of Center for Cooperative Research in Biomaterials (CICbiomaGUNE), Gipuzkoa.

Prof. C.M. Romeo Casabona

Full Professor of Law, University of Basque Country (UPV/EHU), Bilbao, Bizkaia. Director of Law & Human Genome Inter Universitary Chair, UPV/EHU-University of Deusto, Bilbao, Bizkaia.

Prof. Alejandro Pazos

Ph.D., M.D., Chair and Director of Department of Computer Sciences, University of Coruña (UDC), Coruña, Spain.

Prof. Yiyu Cheng

Director of Pharmaceutical Informatics Institute, Zhejiang University (ZJU), China

Dr. Françoise Dumas

Directrice de recherche, CNRS, Université Paris-Sud, BioCIS, Faculty of Pharmacy Châtenay-Malabry, Île-de-France, France.

Prof. Roberto Todeschini

Professor of Chemometrics, Department of Environmental Sciences University of Milano-Bicocca, Milano, Italy.

Prof. Miguel A. Gutierrez Ortiz

Department of Chemical Engineering, University of Basque Country (UPV/EHU), Campus Bizkaia, Leioa, Sarriena w/n, Bizkaia.

Thank you for your support!!!

MOL2NET Chairman

Prof. González-Díaz H., IKERBASQUE Professor, Email: [email protected]
(1) Department of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
ORCID: https://orcid.org/0000-0002-9392-2797

Scientific Committee (Abroad)

Presidents of the Abroad Scientific Committee

President of Scientific Committee (Polymers & Materials Sciences)

Assist. Prof. Bakhtiyor Rasulev

Department of Coatings and Polymeric Material,

North Dakota State University (NDSU), Fargo, USA

President of Scientific Committee (Computational Chemistry and Nanosciences)

Prof. Natalia D.S. Cordeiro

Professor of Computational Chemistry

Department of Chemistry and Biochemistry,

Faculty of Sciences, University of Porto,

Porto, Portugal

President of Scientific Committee (Experimental Chemistry)

Dr. Maité Sylla

(Assoc. Professor)

Conservatoire National des Arts et Métiers (CNAM), Equipe de Chimie Moléculaire, Laboratoire de Chimie Moléculaire, Génie des Procédés Chimiques et énergétiques, CMGPCE, EA7341. Bureau 31.4, Accès 31, 4ème étage 2 rue Conté 75003 Paris, France. [email protected]

President of Scientific Committee (Physics, Environmental, and Atmospheric Sciences)

Dr. David Quesada

Associate Professor of Physics,

School of Science, Technology,

and Engineering Management

St. Thomas University, Miami, FL, USA

(Chair of SRI08 Workshop, Miami, USA)

[Honor Committee]

[Scientific Committee (Abroad)]

[Scientific Committee (Local)]

Abroad Scientific Committee (North America)

Prof. James J. Chou, Department Biological Chemistry & Molecular Pharmacology (BCMP), Harvard Medical School, Boston, USA.

Prof. Maykel Cruz-Monteagudo, FCT Fellow, Univ. of Porto; Consultant, Univ. of Miami, Full Prof. West Coast University, FL, USA.

Prof. James Robert Green, Assoc. Prof., Dept. of Systems and Computer Engineering, Carleton University, Ottawa, Canada.

Prof. William H Bisson, Assist. Prof.. Dept. of Environ. & Molecular Toxicology, Oregon State University, OR, USA.

Dr. Jose A. Seoane, Research Associate, Stanford Cancer Institute, Stanford University, Stanford, CA, USA.

Dr. Natalia Sizochenko, ICN, Dept. of Chemistry and Biochemistry, Jackson State University, Jackson, MS, USA.

Dr. Vanessa Aguiar-Pulido, Research Associate, Weill Cornell Medical College, New York City, NY, USA.

Dr. Robersy Sánchez, Eberly College of Science, Huck Institutes of the Life Sciences, The Pennsylvania State University, USA.

Dr. Marta G. Lete, Texas A&M Health and Science Center, Dept. of Molecular and Cellular Medicine, College Station, TX, USA.

Dr. Santiago Vilar Varela, Research Associate, Department of Systems Biology, Columbia University, USA.

Dr. Advait Apte, Scientific Programmer, Department of Biology, City College of New York, New York, NY, USA.

Dr. Shameer Khader, Philips Healthcare, Philips Research Americas, 2 Canal Park Cambridge, MA, USA.

Dr. Diana María Herrera-Ibatá, Research Associate, Kansas State University, Manhattan, KS, USA.

Dr. Gerardo Casañola-Martín, Visiting Fellow, Dept. of Systems and Computer Engineering, Carleton University, Canada.

Members of Scientific Committee (Europe)

Prof. Ricardo Grau-Crespo, Lecturer Department of Chemistry, University of Reading, Reading, United Kingdom.

Prof. Adriana Chilin, Department of Pharmaceutical and Pharmacological Sciences, University of Padova, Padova, Italy.

Prof. Fernanda Borges, Department of Chemistry and Biochemistry, University of Porto, Portugal.

Dr. Hector M. Díaz-Albiter, Wellcome Trust Centre for Molecular Parasitology, University of Glasgow , United Kingdom.

Dr. Yasset Perez-Riverol, EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge, United Kingdom.

Dr. Luisa Di Paola, Department of Engineering, Università Campus Bio-Medico, Rome, Italy.

Dr. Agnieszka Gajewicz, Assist. Prof., Faculty of Chemistry, University of Gdansk, Gdansk, Poland.

Dr. Hugo Gutiérrez-de-Terán, Department of Cell and Molecular Biology, Uppsala University, Sweden.

Dr. Irina Moreira, FCT Investigator, University of Coimbra, and Marie Curie Fellow at Utrecht University, Netherlands.

Dr. Giovanni Marzaro, Department of Pharmaceutical and Pharmacological Sciences, Padua University, Padua, Italy.

Dr. Riccardo Concu, FCT Post-doctoral Researcher, University of Porto, Porto, Portugal.

Porf. Igor Iosifovich Baskin, M.V. Lomonosov Moscow State University, Moscow, Russia.

Members of Scientific Committee (Other Regions)

Prof. Kazuhiro Takemoto, Assoc. Prof., Dept. of Bioscience and Bioinformatics, Kyushu Institute of Technology, Japan.

Prof. Kunal Roy, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India.

Prof. Yovani Marrero-Ponce, University San Francisco de Quito, Cumbayá, Quito, Ecuador.

Prof. Carolina Horta Andrade, Universidade Federal de Goias, Setor Leste Universitario, Goiania, Brazil.

Prof. Marcus T Scotti, Universidade Federal da Paraíba, Campus IV, Paraíba, Brazil.

Dr. Anuraj Nayarisseri, Principal Scientist, Eminent Biosciences, Vijaynagar, Indore, Madhya Pradesh, India.

Prof. Xiaoke Zhou, Assist. Prof., School of Computer Sciences and Technology, Soochow University, Suzhou, China.

Soft. Eng. Jorge Naranjo, HPC Applications Specialist, New York University (NYU), Abu Dhabi, UAE.

Thank you for your support!!!

MOL2NET Chairman

Scientific Committee (Local)

Coordinator Local Committee (Chemical Sciences)

Prof. Sonia Arrasate

Department of Organic Chemistry II,

University of Basque Country (UPV/EHU),

Leioa, Sarriena w/n, Bizkaia.

Email: [email protected]

Coordinator Scientific Committee (Neurosciences)

Prof. Shira Knafo

IKERBASQUE Professor

Molecular Cognition Laboratory

Biophysics Institute (CSIC, UPV/EHU)

Scientific and Technological Park of Biscay, University of The Basque Country UPV/EHU, Biscay, Spain. Ikerbasque, Basque Foundation for Science.

Coordinator Scientific Committee (Physical Sciences)

Prof. Juan M. Ruso

Department of Applied Physics, Faculty of Physics,

University of Santiago de Compostela (USC), Spain.

Email: [email protected]

Coordinator Scientific Committee (Computer Sciences)

Prof. Cristian R. Munteanu

Department of Computation, University of Coruña (UDC), A Coruña, Spain.

Email: [email protected]

[Honor Committee]

[Scientific Committee (Abroad)]

[Scientific Committee (Local)]

Scientific Committee Members

BioDonostia Health Research Institute

Prof. Marcos J. Araúzo-Bravo, Ikerbasque Professor, Bioengineering

CIC bioGUNE, Center for Cooperative Research in Biosciences

Prof. Nicola Abrescia, Ikerbasque Professor, Structural Virology Laboratory

University of Santiago de Compostela (USC)

Prof. Eugenio Uriarte Villares, Dept. of Organic Chemistry, USC, Spain.

Prof. Florencio Martínez Ubeira, Dept. of Microbiology and Parasitology, USC, Spain.

Prof. María Isabel Loza, Department of Pharmacology, USC, Spain.

Prof. Ramón J. Estévez Cabanas, Dept. of Organic Chemistry, USC, Spain.

Prof. Julio Seijas Vasquez, Dept. of Organic Chemistry, USC, Spain.

Prof. Carmen Cadarso-Suarez, Dept. Stat. and Operations Research, USC, Spain.

Assoc. Prof. Angeles Sánchez, Dept. of Inorganic Chemistry, USC, Santiago, Spain.

Assoc. Prof. Xerardo García Mera, Department of Organic Chemistry, USC, Spain.

Assoc. Prof. Eddy Sotelo, Dept. of Organic Chemistry, USC, Spain.

University of Vigo (UVIGO)

Prof. Yagamare Fall, Dept. of Organic Chemistry, University of Vigo (UVIGO), Vigo, Spain.

University of Cantabria (UC)

Prof. Jose Angel Irabien Gulias, Dept. of Chemical and Biomolecular Engineering ETSIIT, University of Cantabria, Spain.

University of Barcelona (UB)

Prof. Francesc Illas Riera, Institute of Theoretical and Computational Chemistry (IQTCUB), University of Barcelona, Spain.

Prof. Javier Luque Garriga, Department of Physical Chemistry, Universitat de Barcelona, Barcelona, Spain.

Consejo Nacional de Investigaciones Científicas (CSIC)

Prof. Pilar Goya, Institute of Medicinal Chemistry (IQM), CSIC, Juan de la Cierva st., Madrid, Spain.

Ph.D. Sonsoles Martin-Santamaría, Staff Scientist, CIB-CSIC, Mardid, Spain.

University of Valencia (UV)

Prof. Jorge Gálvez, Dept. of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain

Prof. Ramon García Domenech, Dept. of Physical Chemistry, Faculty of Pharmacy, Universitat de Valencia, Spain.

Universidad Politecnica de Madrid

Prof. Victor Maojo, M.D. Ph.D., Biomedical Informatics Group, Polytechnic University of Madrid, Spain.

Universida Complutense de Madrid

Prof. J. Carlos Mendez Ramos, Dept. of Organic Chem. and Pharm. Chem., Complutense University of Madrid, Spain

University of Girona

Prof. Emili Besalú Liora. Institut de Química Computacional i Catàlisi (IQCC), University of Girona, Spain.

University of Alicante

Assoc. Prof. José C. González-Gómez, Dept. of Organic Chemistry, University of Alicante, Alicante, Spain

Institute of Health Carlos III

PhD. Tirso Pons Hernández, Staff Scientist, CNIO, Institute of Health Carlos III, Madrid, Spain.

Scientific Committee Members (UPV/EHU)

UPV/EHU Headquarters Institutional Members

Prof. Carmen Iriondo Gabilondo, Head Dept. of Organic Chemistry II, UPV/EHU, Biscay, Spain.

Prof. Mª Isabel Moreno, Academic Secretary Dept. of Organic Chemistry II, UPV/EHU, Biscay, Spain.

UPV/EHU Committee Members

Prof. Claudio Palomo Nicolau, Director Department of Organic Chemistry I, UPV/EHU, Campus Gipuzkoa

Prof. Francisco Palacios Gambra, Department of Organic Chemistry I, UPV/EHU, Campus Vitoria

Prof. Jose Luis Vicario, Department of Organic Chemistry II, UPV/EHU, Campus Biscay

Prof. M.D. Javier Meana, Department of Pharmacology, Faculty of Medicine, UPV/EHU, Campus Biscay

Prof. Néstor Etxebarria Loizate, Dept. Analytical Chemistry, UPV/EHU, Campus Biscay

Prof. Luis Lezama, Department of Inorganic Chemistry, UPV/EHU, Campus Biscay

Prof. Mario Piris, Ikerbasque Prof., Donostia International Physics Center (DIPC), UPV/EHU, Campus Gipuzkoa

Assoc. Prof. Maria Luisa Carrillo Fernández, Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay

Assist. Prof. Efraim Reyes Martín, Department of Organic Chemistry II, UPV/EHU, Campus Biscay

Assoc. Prof. Inmaculada Arostegui, Dept. of Applied Mathmatics and Statistics, UPV/EHU, Campus Biscay

Assoc. Prof. Aresatz Usobiaga, Department of Analytical Chemistry, UPV/EHU, Campus Biscay

Assoc. Prof. Maite Insausti, Department of Inorganic Chemistry, UPV/EHU, Campus Biscay

Assoc. Prof. Jose Luis Vilas, Department of Physical Chemistry, UPV/EHU, Campus Biscay

Assoc. Prof. Izaskun Gil de Muro, Dept. of Inorganic Chemistry, UPV/EHU, Campus Biscay

Ph.D. Jose Manuel Laza Terroba, Dept. of Physical Chemistry, UPV/EHU, Campus Biscay

Ph.D. Ailette Prieto Sobrino, Dept. of Analytical Chemistry, UPV/EHU, Campus Biscay

Ph.D. Jose Manuel Laza Terroba, Dept. of Physical Chemistry, UPV/EHU, Campus Biscay

Prof. M.D. Marta Arrasate Gil, Adjunct Prof., Faculty of Medicine, UPV/EHU, Campus Biscay

Assoc. Prof. Jose Luis Ayastuy Arizti, Dept. of Chemical Engineering, UPV/EHU, Campus Biscay

Adjunct Prof. Uxue Uria Pujana, Department of Organic Chemistry II, UPV/EHU, Campus Biscay

Adjunct Prof. Irantzu Barrio, Ph.D. Department of Applied Mathematics and Statistics, UPV/EHU, Campus Biscay

Thank you for your support!!!

MOL2NET Chairman

Co-Chairs Committee

[MOL2NET Homepage] [Honor Committee] [Scientific Committee (Abroad)] [Scientific Committee (Local)]

Co-Chairs (Experimental Sciences)

Dr. A.B. Reitz

Ph.D., CEO Fox Chase Chemical Diversity Center,

Inc., Doylestown, PA, USA.

Moore Fellow in the Management of Technology

University of Pennsylvania (Penn Engineering),

Adjunct Professor at Drexel University College of

Medicine, Founder CEO of ALS Biopharma, LLC.

Editor-in-Chief of Curr Top Medicinal Chemistry

Co-Chairs (Theoretical Sciences)

Prof. D. Bonchev

Director of Research on Bioinformatics,

Center for the Study of Biological Complexity.

Prof., Dept of Mathematics & Applied Mathematics,

Virginia Commonwealth University (VCU), USA.

Dr. S.C. Basak,

(1) Ph.D. Senior Scientist at Natural Resources Research Institute, Center for Water and the Environment (CWE), Duluth, MN, USA

(2) Adjunct Associate Professor, Department of Chemistry, University of Minnesota Twin Cities, MN, USA.

Headquarters & Institutional Co-Chairs

Prof. F.P. Cossío

Prof. Department of Organic Chemistry I,

University of Basque Country (UPV/EHU),

Donostia - San Sebastián Campus, Gipuzkoa.

(IKERBASQUE Foundation President)

Prof. E. Lete

Prof. Department of Organic Chemistry II,

University of Basque Country (UPV/EHU), Leioa,

Sarriena w/n, Bizkaia. [email protected]

(Coordinator Ph.D. Synth. & Ind. Chemistry)

Prof. N. Sotomayor

Department of Organic Chemistry II,

University of Basque Country (UPV/EHU), Leioa,

Sarriena w/n, Bizkaia. [email protected]

(Coordinator M.Sc. Synth. & Ind. Chemistry)

Prof. E. Domínguez Pérez

Department of Organic Chemistry II,

University of Basque Country (UPV/EHU),

Leioa, Sarriena w/n, Bizkaia.

(Dean of Faculty of Science and Technology)

Prof. Claudio Palomo Nicolau

Director Department of Organic Chemistry I,

University of Basque Country (UPV/EHU),

Donostia - San Sebastián Campus, Gipuzkoa.

(UFI-QOSYC Council Coordinator)

Thank you for your support!!!

MOL2NET Chairman

JCR Journals Special Issues

Special Issues

Nanomaterials

The members of committees and/or authors are encouraged to edit special issues for different journals of the editorial MDPI (https://www.mdpi.com/). For this edition we have opened one special issue entitled: Experimental Nanosciences, Computational Chemistry, and Data Analysis. This special issue have been opened on the journal Nanomaterials (ISSN 2079-4991), JCR IF = 2.609. The special issue is now in call for papers, submissions are welcome in a posteriori, in parallel, or totally independently from the conference. Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. The guest-editors board of this special issue includes (to be updated):

Guest Editor Prof. Dr. Humberto González-Díaz , Website1 \| Website2 \| E-Mail ¹ Department of Organic Chemistry II, University of the Basque Country UPV/EHU, 48940, Bizkaia, Leioa, Sarriena w/n, Spain ² IKERBASQUE, Basque Foundation for Science, 48011, Bilbao, Bizkaia, Spain
Guest Editor Prof. Dr. Bakhtiyor Rasulev , Website \| E-Mail North Dakota State University, Department of Coatings and Polymeric Materials, Fargo, USA
Guest Editor Dr. Shameer Khader , Website \| E-Mail Director of Bioinformatics, Data Science and Precision Medicine, Healthcare Integration Services, Philips, Cambridge, MA, USA

International Journal of Molecular Sciences

See also, as example, the previous Special Issue on Data Analysis in Molecular Sciences. This issue was published in 2016 on the International Journal of Molecular Sciences (IJMS), IF = 3.257. The issue included 18 papers in total (some of them from the conference). In order to send a proposal of associated workshop and/or special issue contact the chairperson of the conference and UPV/EHU Ikerbasque Professor Prof. H. González-Díaz .

Workshops/Sections Schedule

MOL2NET Workshops/Sections Schedule

General Schedule

MOL2NET International Conference Series on Multidisciplinary Sciences, MDPI Sciforum, Basel, Switzerland has online sections (3) and workshops (>10) associated. The conference runs officially from Oct-05 to Dec-20 (of the year in course) at the online platform SciForum maintained by the editorial MDPI, Basel, Switzerland. However, the platform is open from Feb-15 to Dec-20 of the year in course for practical reasons; e.g., accommodation of many workshops in different dates along the year, reception of communications, etc.

Schedule for Submission and Publication of communications

As we mentioned before, despite the official dates the online sections (1-3) open at the beginning of the year in course (Feb-15) and are open all the year for submissions of communications in order to enable the accommodation of all workshops in different dates along the year. The associated workshops open in different dates along the year (see specific workshop pages). Submission of papers to all sections/workshops is open until Dec-15 of the year in course (2017 for present edition). The publication of communications is continuous all the year upon acceptance.

Schedule for Online participation

After publication of papers is closed we open the online platform from Dec-15 to Dec-20 of the year in course (2017 for present edition) for online participation. The authors will be able to post online comments and/or answers to comments in this workshop/section and also in the other general sections and/or >10 international workshops of the MOL2NET conference (many of them also run both online and in person). The participants are entitled to receive participation certificates for MOL2NET conference and all the workshops they participate upon request to the respective chairpersons. See committees of MOL2NET and each workshop.

Schedule for in person participation

Many of the workshops associated to MOL2NET are going to be held also in person (face-to-face) in different universities of USA, Spain, Italy, Mexico, Chile, etc. This in person workshops have specific schedules in parallel to their online versions. Please, go to the homepages of these workshops and/or contact their chairpersons for further details.

Notes on Topics

MOL2NET International Conference Series on Multidisciplinary Sciences focus on multiple topics of interest for modern sciences due to his multidisciplinary scope. The topics of interest include, but are not limited to, Chemistry (All areas), Mathematics (Applied), Physics (Applied), Materials Science, Nanotechnology, Biology and Life Sciences (All areas), Medicine, Biomedical Engineering, Education, along with Computer Sciences, Data Analysis, Statistics, Artificial Intelligence, Deep Learning, Bioinformatics, Systems Biology, and Complex Networks Sciences.

However, papers focused on the following topics are in general outside of the scope of the conference and the associated workshops. See the following list of topics outside the scope of the conference and associated workshops:

- Astronomy, Cosmology, etc. (due to lack of expertise of the committee)

- Quantum physics of elemental particles (due to lack of expertise of the committee)

- Physical and biological properties emerging after vigorous shaking of highly diluted systems.

About This Conference

About MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition

This conference is organized by Prof. Humbert González-Díaz. Sciforum is not responsible for the content posted on this website.

MOL2NET is an International Conference Series to Foster Interdisciplinary Collaborations in Sciences with emphasis on Experimental Chemistry (all branches), Materials Science, Nanotechnology, Life Sciences, Medicine, and Healthcare, along with Data Analysis, Computer Sciences, Bioinformatics, Systems Biology, and Complex Networks Sciences.

Thank you for your support!!!

MOL2NET Chairman

IKERBASQUE Committee

MOL2NET-IKERBASQUE Committee

Note: In this section we list Professors related to IKERBASQUE, Basque Foundation for Science who are members / supporters of some MOL2NET conference committee.

Honor Committee

Prof. Fernando P. Cossío, Ikerbasque President, Department of Organic Chemistry I, UPV/EHU, Gipuzkoa Campus

Prof. Jesús Jimenez Barbero, Ikerbasque Professor, Scientific Director of Center CICBiogune, Biscay

Prof. Luis M Liz-Marzán, Ikerbasque Professor, Scientific Director of Center CICbiomaGUNE, Gipuzkoa

Scientific Committee

Prof. Shira Knafo, Ikerbasque Professor, CSIC-UPV/EHU Biophysics Institute

Prof. Marcos J. Araúzo-Bravo, Ikerbasque Professor, Bioengineering, BioDonostia Health Research Institute

Prof. Nicola Abrescia, Ikerbasque Professor, CIC bioGUNE, Center for Cooperative Research in Biosciences

Prof. Mario Piris, Ikerbasque Prof., Donostia International Physics Center (DIPC), UPV/EHU, Campus Gipuzkoa

MOL2NET Chairman

00. Editorial & Proceedings Book

[Homepage] [Honor Committee] [Steering Committee] [Scientific Committee (Abroad)] [Scientific Committee (Local)]

Welcome Message

We are glad to invite all colleagues worldwide to participate on a new edition of this International Conference Series. The official title of this conference series is MOL2NET International Conference Series on Multidisciplinary Sciences. MOL2NET (the conference running title) is the acronym of the lemma of the conference: From Molecules to Networks. This running title is inspired by the possibility of multidisciplinary collaborations in science. The topics of interest include, but are not limited to, Chemistry (All areas), Mathematics (Applied), Physics (Applied), Materials Science, Nanotechnology, Biology and Life Sciences (All areas), Medicine, Biomedical Engineering, Education, along with Computer Sciences, Data Analysis, Statistics, Artificial Intelligence, Deep Learning, Bioinformatics, Systems Biology, and Complex Networks Sciences. See the following note to authors on topics outside the scope of the conference and associated workshops [Note on topics].

The Scientific Headquarters (HQs) of this conference series are in the Faculty of Science and Technology, University of Basque Country (UPV/EHU), Biscay. However, the idea of this multidisciplinary conference emerged from the melting pot formed as the result of multiple collaborations of professors from many centers worldwide.

Locally, the founders and strongest supporters of the conference are professors endowed by IKERBASQUE, Basque Foundation for Sciences, professors from the two departments Department of Organic Chemistry I and Department of Organic Chemistry II of the University of Basque Country (UPV/EHU), and professors from the Department of Computer Sciences of the University of Coruña (UDC).

In addition, professors / researchers from the Center for the Study of Biological Complexity of the Virginia Commonwealth University (VCU), USA, the Natural Resources Research Institute, of the University of Minnesota, USA, and many other institutions are also founders and supporters of this conference, please see full committees lists.

THANK YOU FOR YOUR SUPPORT!!!

Sincerely yours

MOL2NET Chairman

MOL2NET Sponsors

Show all published submissions (1) Hide published submissions (1)

Submissions

List of Papers (1) Toggle list

01. CHEMBIOINFO-03: Chem-Bioinformatics Congress Cambridge, UK-Chapel Hill and Richmond, USA, 2017

[MOL2NET 2015] [MOL2NET 2016] [MOL2NET 2017] [FACEBOOK (>10K followers)]
[Welcome Videos] [官话 ] [हिन्दी] [Euskera] [Castellano] [Português] [Français]

Dear colleagues worldwide welcome to CHEMBIOINFO-03: Chem-Bioinformatics Congress Cambridge, UK-Chapel Hill and Richmond, USA, 2017. This is an inter-university trans-Atlantic joint call of the Chemoinformatics North Carolina Congress Series. From the America's side the event is organized by professors of University of North Carolina (UNC), Chape Hill, NC, USA, Virginia Commonwealth University (VCU), Richmond, Virginia, USA and University of Minnesota (UMN), Duluth, USA. From Europe's side the event is organized by professors and researchers of The European Bioinformatics Institute (EMBL-EBI), Cambridge, United Kingdom, the University of The Basque Country (UPV/EHU) and IKERBASQUE, Basque Foundation for Science, Bilbao, Basque Country, Spain. This congress is associated to the MOL2NET International Conference Series on Multidisciplinary Sciences. MOL2NET (From Molecules to Networks), International Conference on Multidisciplinary Sciences, ISSN: 2624-5078, MDPI SciForum, Basel, Switzerland.

Topics of Interest. CHEMBIOINFO series aims to bring together leading academics, researchers and scholars to share their experiences on all aspects of computational programing, modeling, simulations, or scientific computing dedicated to Computational Chemistry, Chemoinformatics, Bioinformatics, Systems Biology, Biocomputing, etc. We focus on applications to Medicinal Chemistry, Drug Design & Discovery, Pharmaceutical Industry, Natural Products Research, Toxicology, Vaccine Design, Biotechnology, Personalized Medicine, Biomedical Engineering, etc. We welcome contributions involving the following topic:

Computational Chemistry & Chemoinformatics: Quantum Chemistry, Functional Density Theory (DFT), Ab Initio Methods, Semi-Empirical Methods, Machine Learning (ML) Quantum Chemistry Potentials, Molecular Mechanics/Molecular Dynamics (MM/MD), Molecular Docking, etc.

Bioinformatics and Systems Biology: Proteomics, Genomics, BLAST and sequence alignment, Meta-Genomics, Protein folding and Protein Structure prediction, RNA secondary structure prediction, Protein Interaction Networks (PINS), Gene Regulatory Networks (GRN), Metabolomics and Metabolic Networks, Synthetic Biology, Data Analysis, and related techniques.

Computer Coding, Data Analysis, Artificial Intelligence, and Soft Computing. The congress also deals with the development or application of computer languages, computational programs, and/or algorithms for the study of chemical and biological process and/or inspired on biological processes. This include programing in Python/Biopython, Perl/Bioperl, etc. Development or application of Machine Learning (ML), Artificial Neural Networks (ANN), Deep Learning Networks (DLN), Bayesian Networks, Random Forest, Classification Trees, Genetic Algorithms (GA), Swarm Intelligence (SI), Ant Colony Algorithms, Artificial Imune Systems, etc.

Bioethics and Biolaw: Last, not the least, the workshop deals with all the Legal, Regulatory, and Bioethics issues emerging from use of new experimental and ICTs in the previous areas such as Drug patenting, Genome patenting, Drug re-purposing patents, Chem-Bioinformatics Software and Models Copyrights, etc. GDPR and Personal data protection in Human Bioinformatics, etc.

CHEMBIPINFO Honor Co-Host Chairpersons

Prof. Danail Bonchev, Center for the Study of Biological Complexity, Virginia Commonwealth University (VCU), Richmond, USA.

Prof. Alexander Tropsha, Associated Dean UNC Eshelman School of Pharmacy, Associated Editor J. Chem. Info. Model., ACS, USA.
University of North Carolina , Chapel Hill , North Carolina 27599 , USA. Email: [email protected]Dr. Subhash C. Basak, Department of Chemistry and Biochemistry, University of Minnesota, Duluth, MN, USA.

Dr. Yasset Perez-Riverol, European Bioinformatics Institute(EMBL-EBI), Cambridge, United Kingdom.

Prof. Humbert González-Díaz, IKERBASQUE Professor, Email: [email protected], MOL2NET & USEDAT Founder Chairman
(1) Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
ORCID: https://orcid.org/0000-0002-9392-2797

CHEMBIOINFO-03 hosts this year the CHEMEDIT-03, Experimental Chemistry & Info. Tech., Bilbao, Spain-Paris, France-Miami, USA, 2017. This Inter-University workshop series is co-hosted by the Dept. of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Porto, Portugal; and the Dept. of Org. and Inorg. Chemistry, University of The Basque Country (UPV/EHU) and IKERBASQUE, Basque Foundation for Science (IKERBASQUE), Bilbao, Basque Country, Spain.

Topics of Interest. This workshop series promotes both experimental and theoretical research in Chemistry including, as well as chemical education, including but not limited to, Inorganic, Analytical, Physical, and Organic Chemistry. The topics are expected to be of wide scope. For instance, in experimental studies: Organic synthesis, Chemical reactivity, Catalysis, Solid State Chemistry, Inorganic Crystals, Crystal Symmetry, and Complexes. Physicochemistry and Analytical chemistry techniques; Spectroscopy (X-Ray, NMR, IR, EPR, Mass Spectroscopy), Chromatography and sample preparation techniques, TEM and SEM Microscopy. Also, in theoretical and computational studies: Computational Chemistry, Quantum Mechanics (Ab inition, DFT, MP3, AM1 methods), Monte Carlo (MC) algorithm, Quantitative Structure-Reactivity, Structure-Property, or Structure-Retention Relationships (QSPR/QSRR) models in organic, inorganic, physical and analytical chemistry. Chemometrics, Experimental Design, and Data Analysis in Analytical chemistry.

WCUCW, West Coast University Capstone Workshop Series

CHEMXEDIT is strongly tied to Chemistry Education as well. In consonance, this workshop also includes the WCUCW-02, West Coast University Capstone Workshop, Miami, FL, USA. This is the Capstone workshop for West Coast University (WCU), Miami, FL, USA. This workshop series held each academic term is devoted to fostering both education and research in multidisciplinary sciences. Nursing students completing their General Education courses at WCU form groups of three and take on the roles of scientist, medical researcher, or public health professional, all of them approaching an assigned topic from their field of expertise. They are each required to devise a study on their topic, pretend to conduct it, generate logical data to support a hypothesis, write an academic paper sharing their findings, and defend their data in a presentation.The workshop education goals focus on professors and students in the WCU Miami campus Capstone course. However, we also welcome researchers and students from other nationwide WCU campuses and researchers from other institutions around the world.

CHEMXEDIT - WCUW Series Scientific Committee

Prof. Françoise Dumas, CNRS, Directrice de Recherche, Prof. Université Paris-Saclay, Paris, France .

Prof. Maité Sylla, Assoc., Chimie Molécularie, Conservatoire National des Arts et Métiers CNAM, París, France.

Prof. Terace Fletcher, PhD, MS, Email: [email protected]
Academic Dean and Professor, West Coast University, Miami Campus, FL, USA.

Prof. Esther Lete, Dept. Org. & Inorg. Chem., University of Basque Country (UPV/EHU), Basque Country, Spain.

(Coordinator Ph.D. Synth. & Ind. Chemistry)

Prof. Nuria Sotomayor, Dept. Org. & Inorg. Chem., University of Basque Country (UPV/EHU), Basque Country, Spain.

(Coordinator M.Sc. Synth. & Ind. Chemistry)

Scientific Committee

Prof. Melissa Cueto, Email: [email protected]
MAInstructor II, West Coast University, Miami, FL, USA
Adjunct Prof., University of Miami, Coral Gables, FL, USA.

Prof. Maykel Cruz-Monteagudo, Email: [email protected]
Education Specialist, West Coast University, Miami Campus, FL, USA.

Prof. Lazaro Pino, Assoc. Prof., West Coast University (WCU), Miami, FL, USA.
Professor of Chemistry, San Ignacio University (SIU), Campus Miami, FL, USA.
Adjunct Professor, Miami Dade College (MDC), Miami, FL, USA.

Prof. Sonia Arrasate, Department of Organic Chemistry II, University of Basque Country (UPV/EHU), Basque Country, Spain.

Prof. Natalia D.S. Cordeiro, Dept. of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Porto, Portugal.

Prof. Yagamare Fall, Dept. of Organic Chemistry, University of Vigo (UVIGO), Vigo, Spain.

Prof. Efraim Reyes Martín, Area of Organic Chemistry II, UPV/EHU, Basque Country, Spain.

Advisory Publication Chair

Prof. Humbert G. Díaz, IKERBASQUE Professor, Email: [email protected]
(1) Department of Organic Chemistry II and Basque Center for Biophysics, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain. (2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Basque Country, Spain.
ORCID: https://orcid.org/0000-0002-9392-2797

ICTs & Regulatory Affairs Chairperson
Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. TICs & Legal Sciences)
PANELFIT European Commission Project Manager. Research Group: Chair in Law and The Human Genome,
Dept. of Public Law, University of Basque Country (UPV/EHU), Campus Biscay, Leioa 48940, Spain.

Congress Chairs

Professor Esther Lete

Dr. Nuria Sotomayor

Professor Sonia Arrasate Gil

Show all published submissions (25) and accepted abstracts (2)

Submissions

List of Papers (25) Toggle list

List of Accepted Abstracts (2) Toggle list

02. CHEMBIOMOL-03: Chem. Biol. & Med. Chem. Workshop, Rostock, Germany-Bilbao, Spain-Galveston, Texas, USA, 2017

[MOL2NET 2015] [MOL2NET 2016] [MOL2NET 2017] [FACEBOOK (>10K followers)]

[Welcome Videos] [官话 ] [हिन्दी] [Euskera] [Castellano] [Português] [Français]

(YEAR-ROUND PUBLICATION, OPEN ACCESS, AND FREE OF CHARGE)

CHEMBIOMOL: Chem. Biol. & Med. Chem. Workshop, Rostock, Germany-Galveston, Texas-Harvard, Boston, USA, is an inter-university, transatlantic workshop. The firs edition of this workshops was originally published as a session but with time gained identity and have been now renamed as chembiomol-01, a posteriori . It is aimed to become a reference international science workshop series on both experimental and computational Bio-molecular and Biomedical Sciences. On Americas' side the workshop is chaired and co-hosted by professors of Dept. of Pharmacology and Toxicology (PHTOX), University of Texas Medical Branch , Galveston, USA. On the other hand, from the Europe's side the workshops is co-chaired by professors of Universität Rostock Institut für Chemie Abteilung für Organische Chemie Rostock (UROSTOCK), Rostock, Germany and Dept. of Org. and Inorg. Chemistry, University of The Basque Country (UPV/EHU) and IKERBASQUE, Basque Foundation for Science, Bilbao, Basque Country, Spain.

Experimental Sciences Topics: CHEMBIOMOL series focus on experimental research on the frontiers of Biomolecular and Biomedical Sciences including: Organic Chemistry, Organic Synthesis, Medicinal Chemistry, Chemical Biology, Molecular Pharmacology, Toxicology, Biotechnology, Biomedical Engineering, Systems Biology, etc. This includes spectroscopic structural characterization (NMR, X-Ray, IR, MS, etc.), Organic synthesis, Biological Assays, Proteomics, Protein Structure, Biophysics, Genomics, Toxicity tests, etc.

Computational Sciences Topics: In addition, the workshop also deals with the application of new Information and Communication Technologies (ICTs) in the previous experimental areas. This includes, Chemoinformatics, Bioinformatics, Data Analysis, Statistics, Artificial Intelligence, Deep Learning, Programming, Databases, Complex Network Analysis of Biosystems, Complexity in Biosystems, Multiscale Systems, Chemical Computation, Theoretical Biology, etc.

Bioethics & Regulatory Topics: Last, not the least, the workshop deals with all the Legal, Regulatory, and Bioethics issues emerging from use of new experimental and ICTs in the previous areas such as Drug Patenting, Drug re-purposing patents, Proteome and Genome patentability, Synthetic Biology, Modified Organisms, Biomedical Personal Image Processing, Personal Data Protection, Personalized Medicine, Software and Models Copyrights, etc.

Steps for Participation

(0) Register, Sign in/Login, to Sciforum platform [Sciforum login]

(1) Submit the title/abstract to workshop [Submit New Abstract] (do not upload paper here).

(2) Download template doc and prepare your communication [Template File].

(3) Wait for Sciforum abstract acceptance email.
(5) Follow the link in the email or login to upload paper (doc and pdf format).

(4) Wait for paper acceptance and publication emails (follow link to proofread your paper)

(5) Communicate with chairpersons if corrections are necessary
(6) Login to post comments, questions, or answers in a section or in one of the MOL2NET workshops.

(7) Contact chairpersons if you need author (publication) or attendance certificate (posting) of MOL2NET sections or workshops

Notes to Participants. Before to submitting your communication recommend to download and use the [Template File] to write your communication; we strongly recommend you to read carefully the following notes to participants about publication model, copyright, authors responsibilities, etc Firstly, be aware that the works published here belongs to two main modalities preliminary communications or comments on previous works.

Preliminary communications. These are not post-print journal papers. In this sense, committee and/or external reviewers check only scope and apparent scientific soundness. They have the same editorial process than for an online Preprint service. Therefore, all works receive doi number and are indexed in databases (GoogleScholar, Publons, etc.).The works may receive also comments from registered participants (public post-publication review). The authors are encouraged to submit their works to a peer-reviewed scientific journals of MDPI or other editorials during or after finalization of the conference, as per SciForum copyright rules.

Comments on previous works are short notes to comment about the more interesting points, highlights, etc. of works previously published by the authors or other groups. In this case, committee and/or external reviewers check also only scope and apparent scientific soundness. The works may receive also comments from registered participants (public post-publication review).

In any case, it is the authors responsibility, to ensure the veracity of the contents, checking similarity to other works, and carry out a proper citation of previous works. The committee is not responsible of this previous aspects in this publishing modality. In this sense, we strongly recommend the authors to use online text-similarity checking services to avoid any form of plagiarism or copyright violation. The authors may be requested to modify the communication (re-write their texts) in the case that high similarity is detected and reported to the committee. In these cases, the manuscript could be put on standby or withdrawn temporarily until the authors re-submit the proper version. The authors are also allowed to submit short reviews, comments, letters, or discussions of papers already published if they guarantee sufficient difference to previous public contents.

Honour Host Chairman

Prof. Jia Zhou, Department of Pharmacology and Toxicology, University of Texas Medical Branch, Galveston, TX, USA.
(EIC Current Topics in Medicinal Chemistry)

Scientific Committee

ERASMUS+ Co-Host Academic Pursuit Chairpersons

Prof. Peter Langer, Abteilung für Organische Chemie Universität Rostock, Rostock, Germany.

Prof. Esther Lete, Dept. Org. & Inorg. Chem., University of Basque Country (UPV/EHU), Basque Country, Spain.
(Coordinator Ph.D. Synth. & Ind. Chemistry)

Prof. Nuria Sotomayor, Dept. Org. & Inorg. Chem., University of Basque Country (UPV/EHU), Basque Country, Spain.

(Coordinator M.Sc. Synth. & Ind. Chemistry)

Scientific Committee Members

Prof. Matthew M. Montemore, Dept. Chem. & Biomol. Eng., Tulane University, New Orleans, Louisiana, USA.

Prof. Françoise Dumas, CNRS, Directrice de Recherche, Université Paris-Sud, Paris, France .
Prof. Yagamare Fall, Dept. of Organic Chemistry, University of Vigo (UVIGO), Vigo, Spain.
Prof. Generosa Gómez, Dept. of Organic Chemistry, University of Vigo (UVIGO), Vigo, Spain.

Prof. Javier Meana, Department of Pharmacology, Faculty of Medicine, UPV/EHU, Basque Country, Spain.

Prof. María Isabel Loza, CiMUS and Department of Pharmacology, USC, Santiago de Compostela, Spain.

Prof. Sonia Arrasate, Dept. Org. & Inorg. Chem., University of Basque Country (UPV/EHU), Basque Country, Spain.

Steering Chairman

Prof. Humberto González-Díaz, IKERBASQUE Professor, Email: [email protected]
ERASMUS+ UROSTOCK-UPVEHU Organic Chemistry Academic Agreement coordinator.
(1) Department of Organic Chemistry II and Basque Center for Biophysics (CSIC-UPV/EHU),

University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Basque Country, Spain.

ICTs & Regulatory Affairs Chairperson
Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. TICs & Legal Sciences)
PANELFIT European Commission Project Manager. Research Group: Chair in Law and The Human Genome,
Dept. of Public Law, University of Basque Country (UPV/EHU), Campus Biscay, Leioa 48940, , Basque Country, Spain.

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03. USEDAT-03: USA-EU Data Analysis Training Prog. Work., Cambridge, UK-Bilbao, Spain-Duluth, USA, 2017

[USEDAT Video] [FACEBOOK (>10K followers)]

[Welcome Videos] [官话 ] [हिन्दी] [Euskera] [Castellano] [Português] [Français]

USEDAT: USA-Europe Data Analysis Training Program
Experimental Data Recording, Computational Data Analysis, Hands-on Training Courses
PhD, MSc, Degree Thesis Tutorship; MSCA Secondments; Summer Internships
USA & Europe Schools, Conferences, Workshops, Enrollment Free of Charge

[USEDAT Project Homepage]
Email: [email protected]

USEDAT Workshop

USEDAT: USA-Europe Data Analysis Training Program is a Multi-center Trans-Atlantic initiative offering hands-on training focused on both Introduction to Experimental Data Recording (NMR, MS, IR, 2DGE, EEG, TG/DTG, HTS/NGS, etc.) and/or posterior Computational Modelling, Simulation, and Data Analysis (Machine Learning, Complex Networks, etc.). We made emphasis on applications in Cheminformatics, Bioinformatics, Medicinal Chemistry, Nanotechnology, Systems Biology, Biomedical Engineering, Biotechnology, Energy, Biomass, and Biofuels, etc. The program also promotes training and knowledge of ethical and legal regulatory issues (GDPR, REACH, OECD, FDA, etc.) about data use and data protection in chemistry and biomedical research.

The program is directed to researchers and students worldwide. The initiative joins various sister summer schools, workshops, boot camps, hands-on training courses, and/or capstone courses of universities in United States and Europe. This includes courses and research workshops offered/chaired by professors of Miami Dade College (MDC), University of North Carolina at Chapel Hill (UNC), North Dakota State University (NDSU), Jackson State University (JSU), Tulane University New Orleans, Saint Thomas University (STU), and West Coast University (WCU) Miami, in United States and courses/workshops organized by professors / researchers of University of Coruña (UDC) Spain, EMBL-EBI European Bioinformatics Institute, Cambridge, United Kingdom, CNAM, Conservatoire National des Arts et Métiers, Paris, France, University of the Basque Country (UPV/EHU) and Ikerbasque, Basque Foundation for Science, Basque Country, Spain, and other European centers.

USEDAT Program & Workshop Participation. The professors and students interested on USEDAT are welcome to submit their research works to be published in USEDAT School Workshop and/or in any other of the MOL2NET workshops associated to the school. For in-site participation contact the coordinators of the different courses or the general coordinator. For participation in the workshops, click submit to send the title and abstract of your communication. After that, wait to receive after approval email. Next, write your communication using the following [USEDAT Template.doc] file to write your communications, after that save a .pdf file and upload. Almost all schools have workshops published by the MOL2NET Conference series (see details at follows). The professors, researchers, and students interested on this workshop are also welcome to participate in the international network of courses offered by USEDAT program. The students of the program can visit one or more of the universities to receive personalized training. It may include introduction to experimental techniques (NMR, EEG, MS, HPLC, 2DGE, etc.) for data acquisition. However, the main focus is on computational algorithms (ML, AI, ANN, SVM, LDA, Deep Learning, SQL, Python, etc.) for data analysis and computational modelling and simulation in Chemistry (All), Biotechnology Biotechnology, Nanotechnology, Biomedical Engineering, etc. See all benefits for students and professors bellow. Follow this link [MORE USEDAT PROGRAM DETAILS] to read more details about USEDAT program.

USEDAT Program Enrollment. Enrollment is free of cost (no fees) for USEDAT hands-on training courses, this include training of Summer school students, training/tutoring of PhD, MSc, and Degree students, training of visiting professors, post-doctoral researchers, sabbatical professors, etc. However, USEDAT students/professors obtain financial support to cover indirect costs (traveling, insurance, living, and other indirect costs) from institutions like MSCA Europe Commission, EMBL-EBI United Kingdom, FCT Portugal, NSF China, COLCIENCIAS Colombia, SENESCYT Ecuador, CONACYT, DELFIN Program México, and PANELFIT H2020 Europe Commision Projects, etc. Follow this link [MORE USEDAT PROGRAM DETAILS] to read more details about USEDAT program.

USINEWS-01; US-IN-EU Worldwide Science Workshop Series, UMN, Duluth, USA, 2017.

This year USEDAT-03 publish the works submitted to the USINEWS-01; US-EU India Worldwide Science Workshop Series, UMN, Duluth, USA, is aimed to become a reference international science workshop series. USINEWS series focused on the interchanges of ideas among India researchers working in India or abroad (U.S., Europe, etc.) with colleagues from other countries across the world. In fact, this workshop (formerly known as INDOWSCI) have headquarters in USA, Europe, and India. The foundations of this workshop are in the multiple collaborations of Professors / Researchers of Indian researchers like Dr. Suhbash C. Basak, University of Minnesota, USA, Prof. Kunal Roy, Jadavpur University, Dr. Shameer Khader, Philips Healthcare, Cambridge, MA, USA, with their international colleages at Virginia Commonwealth University (VCU), University of Coruña (UDC), University of Basque Country (UPV/EHU), IKERBASQUE, Basque Foundation for Sciences, and many other institutions in US-EU, India, and other countries. The workshop is inspired on the Indo-U.S. Workshops series organized by Dr. Suhbash C. Basak during many years, as example of multicultural melting pot devoted to promote interdisciplinary collaborations in science. The works on this initiative started in 1990; the first event was organized in 1998 at Visva Bharati University, West Bengal, India. The Lecture Series was mainly to train young scholars. The third line of events was geared to benefit the South American scientists and young scholars. Two events have been held in Colombia. Some reports of these workshops are: [J. Chem. Inf. Comput. Sci., 1999, 39 (2), pp 179–179], [J. Chem. Inf. Comput. Sci., 2001, 41 (3), pp 479–479], [J. Chem. Inf. Model., 2006, 46 (1), pp 1-1], These workshops included: (1) Indo-US Workshop on Mathematical Chemistry Series, beginning in 1998 in India and having six more events both in USA and India. (2) Indo-US Lecture Series on Discrete Mathematical Chemistry, four events mainly focusing on the training of young scholars. (3) Mathematical Chemistry Workshops of the Americas (involving countries of North and South Americas).

USINEWS Scientific Committee

Prof. Ashok. K. Dubey, Netaji Subhas University of Technology, New Delhi, India.

Prof. Kunal Roy, Dept. of Pharmaceutical Technology, Jadavpur University, Kolkata, India.

Prof. Natalia D.S. Cordeiro, Dept. of Chem. & Biochem., University of Porto, Porto, Portugal.

Dr. Shameer Khader, Dept. of Med. Info. and Research Informatics, Northwell Health, NY, USA.
Dr. Rajeev K Singla (M.Pharm), Sichuan University SCU, West China Hospital, China.

Dr. Supratik Kar, Interdisciplinary Center for Nanotoxicity, Jackson State University, USA.

Prof. Arun Garg, K.R. Mangalam University, Gurugram, India.

Prof. Saahil Arora, K.R. Mangalam University, Gurugram, India.
Dr. Pravin Ambure, ProtoQSAR SL, CEEI Valencia, Valencia, Spain.
Prof. Varadaraj Bhat G, Manipal College of Pharmaceutical Sciences, Karnataka, India.

Prof. Kirtan Dave, Center for Interdisciplinary Studies in Science and Technology, Sardar Patel University, India.

Dr. Amit Kumar Halder, Dept. of Chem. & Biochem., University of Porto, Porto, Portugal.
Prof. Nitin Sapre, Shri Govindram Seksaria Institute of Technology and Science, Indore, India.
Dr. Girinath G. Pillai, Zastra Innovations, Bengaluru, Karnataka, India.
Dr. Kamal Dua, University of Technology Sydney, Australia.
Prof. Gangarapu Kiran, Dept. of Pharmacy, Anurag Group of Institutions, Ghatkesar, India.
Dr. Girish Gupta, Director-Research and Development, Sri Sai College of Pharmacy, India.
Prof. Ajit Singh, Patna Women's College,Patna, Bihar 800001, India India.
Dr. Baishakhi Dey, Indian Institute of Technology Kharagpur, India.

USEDAT Scientific Committee

People listed as collaborators and/or collaborating professors of the USEDAT school project are those who have: [i] acted as lecturer or coordinator of one of the courses; [ii] Acted as chairperson of one of the workshops, [iii] offered institutional and/or hosting support, [iv] acted as tutor and/or have sent at least one student to participate in courses of other centers.

USEDAT Professors/Collaborators [North America]:

Prof. David Quesada (Dir. Dept. Mathematics)^i,ii,iii,iv, Miami Dade College (MDC), USA.
Prof. Eugene Muratov ^i,ii, Eshelman School of Pharm., Univ. of North Carolina (UNC), Chapell Hill, USA.
Assist. Prof. Matthew M. Montemore ^i,iii,iv, Chem. & Biomol. Eng., Tulane University, New Orleans, USA.
Prof. James Robert Green ^i,ii,iii,iv, Dept. of Systems and Comput. Eng., Carleton University, Canada.
Prof. Terace Fletcher ^i,ii,iii,iv, Northeast Lakeview College, University of Texas, San Antonio, TX, USA.

USEDAT Professors/Collaborators [Europe]:
Prof. Humbert Gonzalez-Diaz (USEDAT Coord.)^i,ii,iii,iv, Prof. Sonia Arrasate ^i,ii,iii,iv, Prof. Esther Lete (PhD Coord.)^i,ii,iii,
Prof. Nuria Sotomayor (MSc Coord.)^i,ii,iii, Prof. Fernando Plazaola (Dean)ⁱⁱⁱ, Prof. Ma. Isabel Moreno (Dir. Dept.)^ii,iii,
Dr. Aliuska Duardo (Fac. Law)^i,ii,iii,iv, Univ. of The Basque Country (UPV/EHU), Leioa, Basque Country, Spain.
Prof. Cristian R Munteanu ^i,ii,iii,iv, Prof. Alejandro Pazos ^i,ii,iii,iv, University of Coruña (UDC), Coruña, Spain.

Prof. Christoph Kaleta ^ii,iii,iv, Christian-Albrechts-Universität zu Kiel (CAU), Germany.

Dr. Yasset Perez-Riverol ^i,ii, European Bioinformatics Institute (EMBL-EBI), Cambridge, United Kingdom.
Prof. Pedro L. Fernandes ^i,ii,iii,iv, Bioinformatics Training Coordinator, Instituto Gulbenkian de Ciencia (IGC), Portugal.

USEDAT Professors/Collaborators [Other Regions]:

Prof. Bairong Shen ^i,ii,iii,iv, Exec. Dir., Inst. for Systems Genetics, West-China Hospital, Sichuan University (SCU), China.

Prof. Amaury Pérez Martínez^ii,iii, Amazon State Univ. (UEA), Ecuador.
Prof. Eduardo Tejera ^i,ii,iii,iv, Prof. Yunierkis Perez Castillo ^i,ii,iii,iv (Bio-Cheminformatics Group), Prof. Vinicio Armijos ^iii,iv,
MSc. Emilia Vasquez ^i,ii,iii,iv (Biotechnology), Universidad de Las Americas (UDLA), Quito, Ecuador.
Prof. Marcus T Scotti ^i,ii,iii, Dir. Cheminformatics Lab., Universidade Federal da Paraíba (UFPB), Brazil.
Prof. Esvieta Tenorio-Borroto ^i,ii,iii,iv, Universidad Autónoma del Estado de México (UAEM), Mexico.
Prof. Boris Mederos ^iii,iv, Dept. Phys. and Mathematics, Univ. Autónoma de Ciudad Juárez (UACJ), México.

USEDAT & USINEWS Chairpersons

Dr. Subhash C. Basak, (1) Ph.D. Senior Scientist at Natural Resources Research Institute, Center for Water and the Environment (CWE), Duluth, MN, USA. (2) Adjunct Associate Professor, Department of Chemistry, University of Minnesota Twin Cities, MN, USA.

Prof. Dr. David Quesada, Director of Dept. of Mathematics, SRI Series Founder Chairman
Miami Dade Colege (MDC), Miami, FL, USA.
Email: [email protected]

Dr. Yasset Perez-Riverol, European Bioinformatics Institute(EMBL-EBI), Cambridge, United Kingdom.

Prof. Humbert González-Díaz, IKERBASQUE Professor (MOL2NET & USEDAT Founder Chairman), Email:[email protected],
(1) Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
ORCID:https://orcid.org/0000-0002-9392-2797

ICTs, Bioethics & Regulatory Affairs Chairperson
Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. TICs & Legal Sciences)
PANELFIT European Commission Project Manager. Research Group: Chair in Law and The Human Genome,
Dept. of Public Law, University of Basque Country (UPV/EHU), Campus Biscay, Leioa 48940, Spain.

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04. SRI-09: 9th Summer Research Institute Symposium, STU-MDC, Miami, USA, 2017

NOTES: Before to submit your communication we strongly recommend to read to read carefully the notes to participants at the end of the welcome message and/or the notes in the following page [Notes to authors] about publication model, copyright, authors responsibilities, etc.

[REGISTER/LOG IN TO SUBMIT]

Welcome Message

Nine years have gone since the First STU-MDC Summer Research Institute (SRI) Symposium. Over the years, faculty members from both institutions, School of Science, Technology, and Engineering Management of Saint Thomas University (STU) and Miami Dade College (MDC), have partnered to provide undergraduate students hands-on experiences and computational projects that will prepare them for the new challenges of the modern world and the job market. The commitment of the faculty and staff of the School of Science, Technology and Engineering Management has permitted to introduce students into modern techniques of molecular biology, statistical analysis, mathematical modeling, computational physics, bioinformatics, nano sciences and a large variety of characterization techniques. During this last edition, students exchanged experiences with researchers from University of Miami, Florida International University (FIU) and also from NASA,

For the second time, this year, the memories of the SRI will be hosted online by the MOL2NET conference series. It means, that all communications will be published online at Sciforum platform. All presentations will be peer reviewed and a DOI number will be assigned. MOL2NET conference of Sciforum is one of the platforms with international recognition for scientific exchange. The variety of topics included within this new edition acknowledges the inter-disciplinarity, teamwork, and networking of modern science. Feel free to contact researchers and participants to foster more collaboration efforts. St. Thomas University School of STEM is open to new ventures and joint ventures. Interested to see previous edition can follow the link SRI-08 and witness the quality of 38 submissions with a total of 21 publications. The new edition SRI-09 received a total of 27 submissions.

Special thanks to our partner Miami Dade College (MDC) and the grant STEM-SPACE P03C1160161. The received contributions provided funding for equipment, logistics, and minor activities associated with the SRI. Ten speakers from and local Technological companies came to St. Thomas to share their wisdom as an in kind contribution.

Thank you for your support!

SRI Chairman

Prof. Dr. David Quesada, Associate Professor of Physics, (MOL2NET Committee)
Saint Thomas University (STU), Carnival Building, Room 117, Miami, FL, USA.
Email: [email protected]

Scientific Committee

Prof. Dr. Alexis Tapanes-Castillo, Assistant Professor of Biology
School of Science, Technology and Engineering Management,
St. Thomas University (STU), Miami, FL, USA.
Email: [email protected]

Prof. Dr. Reinaldo Sanchez-Arias, Assistant professor of Mathematics,
School of Science, Technology and Engineering Management,
St. Thomas University (STU), Miami, FL, USA.
Email: [email protected]

Prof. Dr. Luis Fernandez-Torres, Assistant Professor of Chemistry,
School of Science, Technology and Engineering Management,
St. Thomas University (STU), Miami, FL, USA.
Email: [email protected]

Advisory Committee

Prof. Cristian R. Munteanu,
INIBIC Institute of Biomedical Research, CHUAC, UDC, 15006 Coruña, Spain.
RNASA-IMEDIR, Computer Sciences Faculty, University of Coruña, 15071 Coruña, Spain.

Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. Legal Informatics)
Prof. of Law, Program Juan de La Cierva (JdC) Post-Doctoral Research Fellow,
Department of Public Law, University of Basque Country (UPV/EHU),
Campus Biscay, Leioa, 48940, Spain.

Advisory Chair

Prof. Dr. González-Díaz H., IKERBASQUE Professor

(1) Department of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
ORCID: https://orcid.org/0000-0002-9392-2797

[SRI09 PHOTO GALLERY]

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11. NANOBIOMATJND-03: JSU-NDSU Nanotech. & Mat. Sci. Workshop, Jackson & Fargo, USA, 2017

Welcome Message. Dear colleagues worldwide welcome to NANOBIOMATJND-03: JSU-NDSU Workshop Series on Nanotechnology and Material Sciences. NANOBIOMATJND series welcome contributions in all experimental and/or computational topics related to Biomaterials, Biotechnology, Material Sciences, and Nanotechnology.

Experimental and Computational Topics. The topics include, but are not limited to, the sustainable development of new and safe molecules, materials, biomaterials, polymers, biopolymers, etc. This includes the synthesis, characterization, development, production, and application of all kind of materials. The emphasis is on Nanotechnology, Material Sciences, Polymers, Coating Materials, Nanotoxicology, Toxicology, Biomaterials, Biopolymers, Biotechnology, Biomarkers, Vaccines, Biofuels, Enzymes, Computational Materials and Nanosciences, Cheminformatics, Nanoparticle Drug Delivery Systems, etc.

Bioethics & Regulatory Topics: Last, not the least, the workshop deals with all the Legal, Regulatory, and Bioethics issues emerging from experimentation, production, application, and impact in human safety and environment of new Nanoparticles, Biomaterials, Polymers, etc. Important emphasis is on the USA and EU regulation about toxicity and safety of new materials, biomaterials, materials patenting, etc. The workshop also deals with the regulatory issues about the use of Computational models and ICTs for the discovery of nanomaterials, biomaterials, polymers etc.

Host Centers and Promoters. From America's side the workshop is chaired and hosted by professors of the Dept. of Coatings and Polymeric Materials (CPM) of North Dakota State University (NDSU), Fargo, USA. The workshop is also chaired and co-hosted by professors of the NSF-CREST Interdisciplinary Center for Nanotoxicity (ICNANOTOX) of Jackson State University (JSU), Jackson, Mississippi, USA. From Europe's side the workshop is chaired and hosted by professors of the Dept. of Org. Chemistry II, University of The Basque Country (UPV/EHU) endowed by IKERBASQUE, Basque Foundation for Science, Bilbao, Basque Country, Spain. This workshop will be hosted online by conference series: MOL2NET, International Conference on Multidisciplinary Sciences, ISSN:2624-5078, MDPI SciForum, Basel, Switzerland.

Scientific Committee

Chairperson

Prof. Bakhtiyor Rasulev, President of MOL2NET Scientific Committee for Polymers & Materials Sciences.
Department of Coatings and Polymeric Material, North Dakota State University (NDSU), Fargo, USA.

Honor Chairperson

Prof. Jerzy Leszczynski, (USA Presidential Distinguished Fellow)
Director CREST NSF Interdisciplinary Center for Nanotoxicity (ICN),
Dept. of Chem. and Biochem., Jackson State University (JSU), USA.

Honor Scientific Committee

Prof. Juan M. Ruso, Department of Applied Physics,
Faculty of Physics, University of Santiago de Compostela (USC), Spain.

Prof. Natalia D.S. Cordeiro, Department of Chemistry and Biochemistry,
Faculty of Sciences, University of Porto, Porto, Portugal.

Assoc. Prof. Ricardo Grau-Crespo, Department of Chemistry,
University of Reading, Whiteknights, Reading, United Kingdom.

Prof. Juan M. Gutierrez-Zorrilla, Dir. Dept. of Inorganic Chemistry,
Faculty of Science and Technology, UPV/EHU, Campus Biscay, Basque Country, Spain.

Prof. Jose Luis Vilas, Dir. Dept. of Physical Chemistry,
Faculty of Science and Technology, UPV/EHU, Campus Biscay, Basque Country, Spain.

Prof. Luis Lezama, Department of Inorganic Chemistry,
Faculty of Science and Technology, UPV/EHU, Campus Biscay, Basque Country, Spain.

Prof. Alla Toropova, Laboratory of Environmental Chemistry and Toxicology,
Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milano, Italy.

Prof. Andrey Toropov, Laboratory of Environmental Chemistry and Toxicology,
Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milano, Italy.

Scientific Committee

Dr. Natalia Sizochenko, Department of Computer Science,
Dartmouth College, Hanover, NH, USA.

Dr. Guillermin Agüero, CIIMAR/CIMAR, Interdisciplinary Centre of Marine and
Environmental Research, University of Porto, Portugal.

Dr. Gerardo M. Casañola-Martin, Dept. of Coatings and Polymeric Materials,
North Dakota State University (NDSU), Fargo, USA.

Publication Advisory Chairman

Prof. González-Díaz H., IKERBASQUE Professor, Email: [email protected]
(1) Dept of Org. Chem. II and Basque Center for Biophysics (CSIC UPV/EHU),
University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.

ICTs, Bioethics & Regulatory Affairs Chairperson
Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. TICs & Legal Sciences)
Dept. of Public Law, University of Basque Country (UPV/EHU), Campus Biscay, Leioa 48940, Spain.

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08. TECHLAWSCI-01: PANELFIT & NKL H2020 Tech. Law. & Sci. Challenges, Bilbao, Spain, Halden, Norway, Baltimore, USA, 2017

MOL2NET2017, LAWSCI01

[SUBMIT HERE] (Select MOL2NET Conference, Section LAWSci)

Dear colleagues worldwide,

We are glad to invite you to participate in the workshop TECHLAWSCI-01: PANELFIT & NKL H2020 Tech. Law. & Sci. Challenges, Bilbao, Spain, Halden, Norway, Baltimore, USA, 2017. This workshop will be held from 25-30 Oct, 2017, online at Sciforum platform. This is a workshop associated to the MOL2NET International Conference Series on Multidisciplinary Sciences, MDPI Sciforum, Switzerland, HQ UPV/EHU, Bilbao, Biscay, Spain.

LAWSci workshop series promotes multidisciplinary collaborations and debate in the frontiers of Law, Technology, Life, and Social Sciences. The interaction between bio-science and ICTs has forged great developments in many fields. However, the appreciation of these discoveries is sadly, all too often, accompanied by a lack of understanding of the legal implications. This conference series aims to provide a reference to the various legal avenues that are available for the protection of scientific advances, but also the legal instruments to protect society from unwanted effects. It constitutes a study of some of the legal implications of bioscience and ICT advances, weighing their impact on society and the law's role in shaping that effect.

In this sense, the presentations will be focused on legal trends in different fields covering, but not limited to: patentability in plants and human genomics, clinical procedures’ standards, patients’ personal data protection, informed consent, regulatory issues in drug discovery, biomedical research legislation, toxicology, medico-legal problems such as healthcare malpractice, medical insurance or ethics in medical practice, software protection in chemo-informatics, bioinformatics, medical informatics, and social sciences, taxes in the biotechnology industry and causality/liability in environmental pollution, criminology, etc. The conference will run on-line and free, saving traveling and participation costs (subscriptions, open publication, participation in forum, certificates, etc., are free of cost).

Publication Model and Authors Responsibility:

Before to submit your work be aware that the editorial process is the same than for a PREPRINT service. Therefore, all works receive doi number and are indexed in databases (GoogleScholar, Publons, etc.). However, the works published here are preliminary communications and not post-print journal papers. In this sense, committee and/or external reviewers check only scope and apparent scientific soundness. The works may receive also comments from registered participants (public post-publication review). The authors are encouraged to submit their works to a peer-reviewed scientific journals of MDPI or other editorials during or after finalization of the conference, as per SciForum copyright rules.

In any case, it is the responsibility of the authors, to ensure the veracity of the contents, checking similarity to other works, and carry out a proper citation of previous works. The committee is not responsible of this previous aspects in this publishing modality. In this sense, we strongly recommend the authors to use online text-similarity checking services to avoid any form of plagiarism or copyright violation. Some workshops in this conference series use specialized services to checked for possible text similarity. For instance, MODEC is using the official account of their organizing university for URKUND web server. Please, be aware that the authors may be requested to modify (re-write their texts) the communication in the case that high similarity is detected and reported to the committee. In these cases, the manuscript could temporarily withdrawn until the authors re-submit the proper version. The authors are also allowed to submit short reviews, comments, letters, or discussions of papers already published if they guarantee sufficient difference to previous public contents.

Workshop Chairperson

Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. Legal Informatics)

Post-Doctoral Research Associate, Program Juan de La Cierva (JdC), Research Group: Chair in Law and The Human Genome, Department of Public Law, University of Basque Country (UPV/EHU), Faculty of Law, Campus Biscay, Leioa 48940, Spain. Email: [email protected]

Honor Advisory Committee

Prof. Carlos María Romeo Casabona

Full Professor University, Director of Research Group: Chair in Law and The Human Genome, Department of Public Law, University of Basque Country (UPV/EHU), Faculty of Law, Campus Biscay, Leioa 48940, Spain.
Member of The European Group on Ethics in Science and New Technologies (EGE), Brussels, Belgium.
Member of The Council of Europe Steering Committee on Bioethics (CDBI), Strasbourg, France.
Email: [email protected]

Prof. Frank Pasquale

Professor of Law, University of Maryland Francis King Carey School of Law, Baltimore, MD, USA.
JD, Yale Law School; MPhil, Oxford University; BA, Harvard University, Summa cum laude,
E-mail: [email protected]

Prof. Antonio López Díaz

Department of Special Public Law, Faculty of Law, University of Santiago de Compostela (USC), Spain.
Email: [email protected]

Prof. Cesar García Novoa

Department of Special Public Law, Faculty of Law, University of Santiago de Compostela (USC), Spain.
E-mail: [email protected]

Prof. Ma Begoña Villaverde Gomez

Consellera de Contas da Xunta de Galicia (Minister of Auditors of Galicia Goverment)
Department of Special Public Law, University of Santiago de Compostela (USC), Spain.

Prof. Daniel Berzosa López

Senior Manager Public Law Area, Chavarri Abogados, Professor of Constitutional and Economic Public Law. CUNEF. Madrid. Professor of Constitutional Law. IEB. Madrid. Associate Professor at the Legal Department. IE Business & Law Schools. Madrid.

Headquarters Institutional Committee

Prof. Dr. Mª Pilar Nicolás Jiménez (Faculty Vice Dean)

Vice Dean Coordinator of the Faculty of Law in Biscay, Senior Resercher, Research Group: Chair in Law and The Human Genome, Department of Public Law, University of Basque Country (UPV/EHU), Faculty of Law, Campus Biscay, Leioa 48940, Spain. Emails: [email protected]

Scientific Advisory Committee (Abroad)

Prof. Guillermo Velasco Fabra (Commercial Law)

Professor of Commercial Law, Director/Coordinator of Department/Area II Degree in Law,
CUNEF - University College of Financial Studies, Complutense University of Madrid (UCM)
Associate Lawyer, Commercial Law Area, Deloitte Abogados y Asesores Tributarios.
Codirector of the Journal Fiscalidad Internacional y Negocios Internacionales (Aranzadi)

Prof. Marcos Almeida (Public Law)

Director of the Observatory for Regulation of Public Entities. Professor and Secretary of Department of Public Law,
University of Santiago de Compostela (USC), Spain.

Prof. Josefina Chinea Guevara (Family Law)

Coordinator of Postgraduate Education, Universidad Andina Simón Bolívar, Cochabamba, Bolivia.

Ph.D. Vanessa Aguiar Pulido (Computational Sciences)

Postdoctoral Associate, Brain and Mind Research Institute (WCMC),
Weill Cornell Medicine, Cornell University, New York, 10065, USA.

Prof. Juan A. Lecaros Urzua (Law & Bioecthics)

Professor Universidad del Desarrollo (UDD), Santiago de Chile, Chile
Director Observatorio de Bioética y Derecho, Santiago de Chile, Chile

Lic. Dainerys Hernádez-Valle (Phsycology & Society)

Counseling Phsycologist, 101Y00000X , 701 SW 27TH AVE, 33135, Miami, FL , USA.

Scientific Committee (Local)

Prof. Dr. Iñigo de Miguel Beriain

Postdoctoral Research Associate, Research Group: Chair in Law and The Human Genome, Department of Public Law, University of Basque Country (UPV/EHU), Faculty of Law, Campus Biscay, Leioa 48940, Spain.
Lecturer at The National Distance Education University (UNED), Biscay, Spain.
E-mail: [email protected]

Dr. Emilio José Armaza Armaza

Lecturer of Criminal Law, Tenured-Track Researcher of Ramon y Cajal (RyC) Program, Erasmus Mobility Coordinator,
School of Law, University of Deusto, Bilbao, Spain. E-mail: [email protected], [email protected]

Prof. Dr. Susana Serrano Gazteluurrutia

Department of Public Law, Faculty of Law, University of the Basque Country UPV/EHU, Campus Biscay, Leioa 48940, Spain. Email: [email protected]

Dr. Elena Atienza Macías

(1) Visiting Fellow Basque Government, University of Coimbra, Faculty of Law, Centre for Biomedical Law
Pátio da Universidade 3005 - 545 Coimbra, Portugal. (2) Post-Doctoral Researcher, Research Group: Chair in Law and The Human Genome, Department of Public Law, University of Basque Country (UPV/EHU), Faculty of Law, Campus Biscay, Leioa 48940, Spain. E-mail: [email protected]

Lic. Iker Conal

Predoctoral Fellow, Research Group: Chair in Law and The Human Genome, Department of Public Law,
University of Basque Country (UPV/EHU), Faculty of Law, Campus Biscay, Leioa 48940, Spain.

Congress Chair

Ms. Aliuska Duardo-Sanchez

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09. MODECO-02: Workshop on Molecular Diversity & Ecosystems, Puyo, Ecuador-Porto, Portugal, 2017

Wellcome Message

Welcome to the MODECO-02, Molecular Diversity & Ecosystems, From Amazon to Oceans, Puyo, Ecuador-Porto, Portugal, 2017. This workshop focus on the research of climate impact, preservation, and environment-friendly industrial development of forests and oceans. The workshop promotes the application of the Multidisciplinary Sciences for climate research and to the development of natural products and agro-industrial processes in both Ecuadorian Amazon and Pacific and Atlantic Oceans and coastal regions. It involves methodologies ranging from experimental chemistry and biomolecular sciences, computational methdos, economical, social, bioethics, regulatory and legal issues.

Partners & Promoters. This is a trans-atlantic inter-university workshop. On the Americas' side the workshop is chaired and co-hosted by professors of the Amazon State University's (UEA), Puyo, Amazon, Ecuador. From Europe's side the workshop is chaired and co-hosted by researchers and professors of the Interdisciplinary Centre of Marine and Environmental Research (CIIMAR), University of Porto (UPORTO), Porto, Portugal. The workshop was founded and is co-chaired and promoted by researchers of the University of The Basque Country (UPV/EHU) endowed by IKERBASQUE, Basque Foundation for Science, Bilbao, Basque Country, Spain.

Host Conference. The workshop is associated to and hosted online by the MOL2NET International Conference Series on Interdisciplinary Sciences, ISSN: 2624-5078, MDPI SciForum, Basel, Switzerland. This conference is hosted online by the SciForum platform supported by Multidisciplinary Digital Publication Institute (MDPI), Basel, Switzerland with roots in the Molecular Diversity Preservation International (MDPI) institute. Please, contact the workshop chairmen for further details.

Working Languages. English is the main working language of the workshop. However, as a North-Ibero-American-Europe inclusive conference the workshop aims to accept papers to be published in multiple languages spoken on the countries, states, and communities of the entire North-Ibero-American-Europe area of influence. It involve, but is not limited to: Ecuador, France, México, Brazil, Spain, Portugal, USA, Canada, Chile, Basque Country, Catalunya, Valencia, Galicia, etc. Consequently, we accept papers on the following languages: English, Spanish, French, Portuguese, Basque (Euskera), Catalá / Valenciano, and Galego. We also accept bi-lingual posters in two-column format, e.g, English-Basque, English-Spanish, France-English, English-Portuguese, Spanish-Galego, etc. Other languages than those cited above may be considered but it could conditioned to the fluency of the experts in the revieweing panel.

Publication Modalities. There are two separted routes for publication. Firstly, all communications submited directly to the workshop will be Published Online Free of Charge open year round. In addition, all authors are invited to submit by separate (optional) full paper versions of their communications to the MDPI journal associate special issue, in this case (APC apply). In th first case, communications submitted to the workshop are expected to be short papers or posters consisting of 1-3 pages. Be aware that the submission is a two step process. First you must register and submit a tentative title, authors list and abstract. Next, you need to submit your full publication upon acceptance of the abstract by the committee. Full communications submited to workshop will be in the Sciforum platform, with doi number as soon as possible upon acceptance.

Workshop Topics of Interest: The topics of the conference, include, but are not limited to: Marine chemical pollution; Marine and Forest Microorganisms; Marine and Forest environment; Metabolomics; Microbial biofilms formation. Experiental and Computational chemistry, Cheminformatics, and Bioinformatics of Forest and Marine Natural products. Mathematical modelling of Natural, Climate, Biotechnological, Agricultural, and Environmental Process. Organic and Functional Foods of Forest and Ocean origin. BioTrade: Sustainability and Trading of Natural Products of the Amazon and Coastal regions. Production systems with agro-business and forestry purposes or biomass for energy purposes. Environmental impacts in Forest and Ocean of Climate Changes and Industrial exploitation. Geographic Information Systems (GIS) for Climate and Land cover monitoring and forecasting. Agro-industrial development processes.

Workshop Schedule:

Abstracts submission until Oct-01.
Abstract acceptance until Oct-03.
Communications submission until Nov-01.
Communications acceptance until Nov-15.
Communications publication until Nov-30.

Authors liability. Before to submit your work be aware that the editorial publication model of this workshop is similar to a PREPRINTservice. It means that works presented here have to be considered only as preliminary communications and not as final post-print versions of journal papers. In this sense, even when all the works published are revised by at least one member of the committee and/or external reviewer this level of revision checks only apparent scientific soundness and general scientific interest. In a second level, collective post-publication review, the works published may receive comments (published in the form of posts) from all the participants registered in the conference. The authors are prompted to use all these opinions to write the full versions of their works and submit them to publication in a peer-reviewed scientific journals according to SciForum copyright rules. In any case, the authors are the only one responsible of the veracity of the contents, checking similarity to other works, citing properly previous works, etc.

Honor & Executive Chairpersons

Dr. Guillermin Agüero, CIIMAR, Interdisciplinary Centre of Marine and Environmental Research, University of Porto, Portugal.
Email: [email protected]

Prof. Amaury Pérez Martínez , Universidad Estatal Amazónica, Ecuador.
Email: [email protected]

Founder Chairpersons

Dr. Gerardo M. Casañola Martin, North Dakota State University, ND, Fargo, USA.

Prof. Oscar M. Rivera Borroto, Houston Community College, Houston, TX, USA.

HQs Honor Advisory Committee

Prof. Agostinho Antunes, CIIMAR, Interdisciplinary Centre of Marine and
Environmental Research, University of Porto, Scientific-Technical Director of
Matosinhos Environmental Center (CMIA), Matosinhos, Portugal.

Prof. Dr. C. Julius Caesar Vargas Burgos, Full Professor
Rector of Amazon State University (UEA), Puyo, Ecuador

Prof. Reynaldo Alemán Pérez, Scientific Director
Universidad Estatal Amazónica, Ecuador.

Honor Advisory Committee

Prof. Eugenio Uriarte Villares, Universidad de Santiago de Compostela, Spain.

Prof. Pedro Fernández de Córdoba Castellá, Universidad Politécnica de Valencia, Spain

Scientific Committee Abroad

Dr. Maria Joao Matos, Postdoc Universidad de Santiago de Compostela, Spain,
Former PostDoc Dept. of Chemistry, University of Cambridge, United Kingdom.
PhD. Dany Domínguez Pérez, CIIMAR Centre, University of Porto, Porto, Portugal.
Prof. Juan Esteban Miño Valdés, Universidad Nacional de Misiones, Argentina.
Prof. Luis E. Arteaga-Pérez, Universidad del Bío-Bío: Concepción, Chile.
Prof. Yannay Casas Ledón, Concepción University, Chile.
Prof. Luis E. Arteaga-Pérez, University of Bio-Bio, Chile.

National Scientific Committee (Ecuador)

Prof. Yovani Marrero-Ponce, University San Francisco de Quito, Quito, Ecuador.
Prof. Eduardo Tejera, Bio-Cheminformatics, niversidad de Las Americas (UDLA), Quito, Ecuador.
Prof. Vinicio Armijos , Universidad de Las Americas (UDLA), Quito, Ecuador.
Prof. Yunierkis Pérez-Castillo, Universidad Técnica Particular de Loja, Ecuador.
Prof. Alejandro Cabrera Andrade, Universidad de Las Americas (UDLA), Quito, Ecuador.
Prof. Emilia Vasquez, Biotechnology, Universidad de Las Americas (UDLA), Quito, Ecuador.
Prof. Neyfe Sablón Cossío, Universidad Técnica de Manabí, Ecuador.

Prof. Karel Dieguez Santana, Universidad Estatal Amazónica, Ecuador.
Prof. Manuel Lazaro Pérez Quintana, Universidad Estatal Amazónica, Ecuador.
Prof. Matteo Radice, Universidad Estatal Amazónica, Ecuador.
Prof. Pedro Jesús Lopez Trabanco, Universidad Estatal Amazónica, Ecuador.
Prof. Viviana Fernanda Quevedo Tumailli , Universidad Estatal Amazónica, Ecuador.
Eng. Delfín Bernabé Ortega Tenezaca, Universidad Estatal Amazónica, Ecuador.
Prof. Dagoberto Acosta Iglesias, Universidad Estatal Amazónica, Ecuador.
Prof. Manuel Lazaro Pérez Quintana, Universidad Estatal Amazónica, Ecuador.
Prof. Javier Dominguez Brito, Universidad Estatal Amazónica, Ecuador.
Prof. Maria Isabel Viamonte Garces, Universidad Estatal Amazónica, Ecuador.
Prof. Estela Guardado, Universidad Estatal Amazónica, Ecuador.
Prof. Laura Scalvenzi, Universidad Estatal Amazónica, Ecuador.
Prof. Luis Ramón Bravo Sánchez, Universidad Estatal Amazónica, Ecuador.
Prof. Reinier Abreu Naranjo, Universidad Estatal Amazónica, Ecuador.
Prof. Yasiel Arteaga Crespo, Universidad Estatal Amazónica, Ecuador.
Prof. Yudel García Quintana, Universidad Estatal Amazónica, Ecuador.
Prof. Carlos Alfredo Bravo Medina, Universidad Estatal Amazónica, Ecuador.
Prof. Víctor Rodrigo Cerda Mejía, Universidad Estatal Amazónica, Ecuador.

Honour Publication Chairman

Prof. González-Díaz H., IKERBASQUE Professor, ORCID iD icon https://orcid.org/0000-0002-9392-2797, Email: [email protected]
(1) Dept. of Organic and Inorganic Chemistry and Basque Center for Biophysics, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain. (2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.

ICTs & Regulatory Affairs Chairperson
Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. TICs & Legal Sciences),
Chair in Law & The Human Genome Research Group, Faculty of Law,
University of The Basque Country UPV/EHU, Leioa (Bilbao), Biscay,
PANELFIT H2020, Project Manager & EDC Board Coordinator,
Europe Commission.

Congress Chair

Dr. Amaury Perez Martinez

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10. EJIBCE-01; Meeting of Young Researchers in Structural Computational Biology, UC, Coimbra, Portugal, 2017

EIJCBE-01

[REGISTER/LOG IN TO SUBMIT NEW ABSTRACT OR COMMUNICATION HERE]

About

The Meeting of Young Researchers in Structural Computational Biology (EJIBCE 2017) aims at bringing together the Portuguese scientific community working in the field in a free-of-charge meeting, to provide a forum for discussion and sharing with no strings attached. This third edition builds on the success of previous editions in Porto, Lisbon, Coimbra and Oeiras, which gathered ca. 60 participants and had over 10 oral communications in each edition.

Mission & Objectives

Given the current economic situation in Europe, and particulaly in Portugal, it is increasingly harder to obtain funding and have an optimistic approach to science and collaborations. Besides, the recent austerity measures put in place by the Portuguese government led many researchers to join groups and institutes abroad, and eventually lose touch with the Portuguese scientific community and developments.

After obtaining a doctoral degree or finishing a postdoctoral appointment, many Portuguese scientists abroad look back to their country looking for an opportunity to continue their careers and contribute to the development of Portuguese science. Others wish to remain abroad, but at the same time reach out to the Portuguese community and cultivate stronger ties to its researchers. However, what groups are there on Computational Structural Biology? What do they actually focus on? Are they open to collaborations?

This meeting was created in order to answer these and other similar questions. Its main goal is to provide a simple no-frills environment where Portuguese researchers in Computational Structural Biology, active both in Portugal and abroad, can meet and get to know each other’s research and ambitions. Ultimately, we hope that in doing so, we will be able to stimulate new collaborations and broaden the horizons of the Portuguese community of Computational Structural Biologists.

EJIBCE 2017

EJIBCE 2017 builds up on the format of previous editions, focusing on a small number of oral communications interspersed with several breaks to encourage discussion and exchange of ideas. Throughout the day, 11 researchers will present their results. Seven will be selected from the submitted abstracts by the Scientific Committee, based on the quality and originality of the work, and will be given 15 minutes to speak, followed by a short discussion. The remaining 4 oral communications will be delivered by invited keynotes, who will be given 30 minutes to speak plus 10 for discussion. The program is available as a Google Calendar [Here].

This workshop is associated to the MOL2NET-03 International Conference Series on Multidisciplinary Sciences. This is a year-round conference series with multiple associated workshops worldwide (online and in person). In fact, This year’s edition will run both, in person at University of Coimbra Physic’s Department and online at the web platform SciForum maintained by the editorial MDPI, Basel, Switzerland. It means that, after publication of all papers of all the workshops associated to the conference we shall open the online platform and the authors of general sections and all workshops will be able to post online comments and/or answers to comments in this workshop/section and also in the other general sections and/or workshops. To see a detailed schedule of the conference follow this link [MOL2NET workshops schedule].

Guest Speakers

João Ribeiro received his diploma degree in Bioinformatics in 2009 from the Faculty of Biotechnology, Portuguese Catholic University, and his Ph.D. in Sustainable Chemistry in 2014 from the Faculty of Science, the Faculty of Pharmacy and the Institute of Biomedical Sciences Abel Salazar of University of Porto in association with the Nova Lisboa University, advised by Prof. Maria J. Ramos. During his Bioinformatics degree, he had the opportunity to combine Biology and Biochemistry with software development to produce user-friendly Bioinformatics tools. The pursuit for the integration of Biochemistry and software development followed João to his Ph.D studies, where he developed third-party tools (plugins) for the widely used molecular visualization program VMD, developed by Klaus Schulten’s Theoretical and Computational Biophysics (TCB) group. These plugins aimed to assist non-expert users of Computational Chemistry software at different stages of the computer-aided drug design process, such as molecular docking, protein mutagenesis and molecular dynamics simulation analysis. João joined the TCB group in 2014 to employ molecular dynamics simulation to study the cellulose degradation process for biofuel production while keeping the software development always present in his work. He is currently the main developer of the newest VMD plugin to assist MD novice users in the preparation, execution and analysis of MD simulations, QwikMD. This plugin smooths the initial learning curve imposed by the MD programs and allows more advanced users to speed-up tedious structure preparation procedures.

João M. Damas is a biochemist from background (Universidade de Lisboa, 2007) that decided to follow computational molecular biophysics. During more than eight years he was a researcher in the Protein Modelling laboratory (www.itqb.unl.pt/pm), under the supervision of Prof. Cláudio M. Soares, where he specialized in molecular dynamics and related techniques and applying them to understanding biomolecules at the molecular level. One year and a half ago, João joined Acellera Ltd. (www.acellera.com), a company focused on software and hardware solutions for computerized drug discovery, where he is a Researcher and Software Developer. He is one of the main developers and maintainers of HTMD, a Python package to prepare, handle, simulate, visualize and analyze molecular systems, as well as of other Acellera software, such as ACEMD, AceCloud, and AceFlow.

António Ribeiro is a postdoctoral researcher in bioinformatics and computational chemistry at the European Bioinformatics Institute (EBI), in Cambridge. António finished his biochemistry master’s degree in 2009 at the Faculty of Sciences of the University of Porto. His master thesis was developed in the computational biochemistry group under the supervision of Professors Maria João Ramos and Pedro Fernandes, and focused on the application of computational methods (QM and QM/MM) to study chemical and enzymatic reactions. His PhD thesis, finished in 2013, was done in part at the same group, but also at the University of Calabria, with Professor Nino Russo. The thesis described the computational study of the catalytic mechanism of several enzymes, namely HIV-1 Integrase and Protein Phosphatase 5. After the PhD, António used other computational methods like virtual screening and free energy calculations to identify potential hit compounds for HIV-1 Integrase. Since June, 2016, he is part of Professor Janet Thornton’s group at the EBI, where he is developing a database of enzyme mechanisms and catalytic sites. This database (https://www.ebi.ac.uk/thornton-srv/m-csa/) will be used to understand enzymatic function and enzyme evolution.

João M. Martins graduated with a Bachelor’s degree in Chemistry with the University of Porto in 2011, having started his work in computational structural biology during his undergraduate studies. He later obtained the degree of master in Chemistry from the same university, researching quantum chemistry and theoretical structural biology during his Master’s thesis work. Working under Prof. Kresten Lindorff-Larsen, he obtained the PhD degree in Biochemistry in 2017 with the Structural Biology and NMR lab (SBiNLab) of the University of Copenhagen. His work has been focused on protein-protein interfaces, hotspot theory and small molecule docking under the supervision of Irina Moreira while at the University of Porto and mutation studies through free energy perturbation and integration of experimental data in protein simulation. Currently, he works as a postdoctoral research scientist at the The Image Section of the University of Copenhagen computer science department. His research focuses on protein structure and function studies through machine learning and neural networks’ methods.

Statement of Responsibility

All materials and services on this website are provided without warranties. The content published in these pages may contain errors for which the organization assumes no liability or responsibility. The content is also subject to periodic changes without the duty of notice. Any doubts and questions should be addressed to the organization by email ([email protected]). Registration to this event implies acceptance of these conditions.

Chairpersons

Irina Moreira, E-mail: [email protected]
Center for Neuroscience and Cell Biology (CNC)
Universidade de Coimbra, Coimbra, Portugal;
Bijvoet Center for Biomolecular Research,
Faculty of Science-Chemistry, Utrecht University,
Utrecht, The Netherlands.
http://orcid.org/0000-0003-2970-5250

Rita Melo, Email: [email protected]
Center for Neuroscience and Cell Biology and
Center for Nuclear Sciences and Technologies (CNC)

Organizing Committee

Cândida Silva, CQC

Carlos Simões, BSIM²

António Preto, CNC

José Almeida, EBI

Carlos Barreto, CNC

Alexandra Carvalho, CNC

Pedro Filipe, UC

Scientific Committee

Ozge Sensoy, Medipol - Istambul, Turkey

Giulia Morra, ICRM - Milan, Italy

Marcel Swart, IQCC - Girona, Spain

Advisory Chairman (Online Publication)

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Congress Chair

Mr. Rajeev K Singla, Division of Biological Sciences and Engineering, Netaji Subhas Institute of Technology

12. session-12

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Congress Chair

Dr. Lazaro Pino

13. session-13

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Congress Chair

Professor Marcus Scotti, Federal University of Paraíba

14. session-14

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Congress Chair

Dr. Maria Auxiliadora Dea-Ayuela

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07. NIXMSM-03: North-Ibero-Am. Exp., Model. & Simul. Meth. Work., Valencia, Bilbao, Spain-Paraiba, Brasil-Miami, USA, 2017

Welcome Message

We are glad to invite all colleagues worldwide to participate on a new edition of the workshop NIXMSM-05: North-Ibero-American Workshop on EXperimental, Modelling, and Simulation Methods, Valencia, Bilbao, Spain - Miami, USA, 2021. The workshop publish totally free of charge communications in multidisciplinary sciences involving experimental and/or computational methods. The field of application include, but are not limited to, Biomolecular, Biomedical, Materials, Environmental, Trade, Learning, Education, and Social sciences in general (see scope section). This is an inter-university transatlantic joint workshop co-chaired by USA and Europe institutions. In first instance, the founder chairs are professors of the Institute of Molecular Science (ICMol), University of Valencia (UV), and the Catholic University of Valencia (UCV), Valencia, Spain. From the America's side the workshop is co-hosted by professors of Department of Mathematics Miami Dade College (MDC) and Department of Chemistry and Biomolecular Engineering, Tulane University (TULANE), New Orleans, USA.

More recently, the workshop is being co-hosted by researchers of the Basque Center for Biophysics (BIOFISKA), Basque Country, Spain. In this sense, from this year the workshop is also publishing the covers and links to talks presented on the JournalCLubBiofisika. This is an experts panel celebrated in the previous center and running both in-person and on-line. This journal club is focused on the exposition by a panelist and posterior brain-storming discussion of previous papers published by different authors worldwide.

All in all, the workshop is associated to the MOL2NET International Conference Series on Multidisciplinary Sciences. MOL2NET (From Molecules to Networks) series is running this year MOL2NET-2020, International Conference on Multidisciplinary Sciences, ISSN: 2624-5078, MDPI SciForum, Basel, Switzerland, 2020. Consequently, it is co-chaired and promoted as well by researchers of the University of The Basque Country (UPV/EHU) and IKERBASQUE, Basque Foundation for Science, Bilbao, Basque Country.

Working Languages

English is the main working language of the workshop. However, as a North-Ibero-American inclusive conference the workshop aims to accept papers to be published in multiple languages spoken on the countries, states, and communities of the entire North-Ibero-American area of influence. It involve, but is not limited to: México, Brazil, Spain, Portugal, USA, Canada, Chile, Ecuador, Basque Country, Catalunya, Valencia, Galicia, etc. Consequently, we accept papers on the following languages: English, Spanish, Portuguese, French, Basque (Euskera), Catalá / Valenciano, and Galego. We also accept bi-lingual posters in two-column format, e.g, English-Basque, English-Spanish, English-Portuguese, Spanish-Galego, etc.

Scope and Target Audience

This conference focus on both under-graduated, MSc, and PhD students, as well as Professors, Engineers, and Researchers. The topics of interest cover both Experimental and Computational Modelling and Simulation Methods.

The experimental methods made special emphasis on experimental methods in bio-molecular sciences and biomedical sciences. Examples of experimental methods of interest are those used on Biophysics, Molecular Biology, Medicinal Chemistry, Biomaterials, Biotechnology, Biomedical Engineering, etc. such as Microscopy, Spectroscopy (NMR, IR, Raman, X-Ray) for Biomolecules Characterization, Image recording methods (fNMRi), EEGG and ECG, etc.

The computational methods include, but are not limited to, Computational Biophysics, Computational Biology, Quantum Chemistry, Bioinformatics, Systems Biology, Complex Networks, Discrete Mathematics, Mathematical Analysis, Complex Networks Sciences, Statistics, Data Analysis, Artificial Intelligence (AI), Machine Learning, Deep Learning, etc.

Last, not the least, the workshop deals with all the Legal, Regulatory, and Bioethics issues emerging from the use of both experimental and modelling and simulation methods in the previous areas. This include, Drug, Gene, Protein, Vaccine, Biomarkers, and Biomaterials patentability, Personalized Medicine and Personal Data Protection, Cybersecurity, Cryptocurrency Mining, Data Protection in Personal Image Processing, Software and Models Copyrights, etc.

NIXNSN-03 Associated Workshops

Before to submit your communication we strongly recommend to read carefully the [Notes to Authors] about, participation modalities, publication model, copyright, authors responsibilities, etc.

NIXMSM-03 publish the work presented at WRSAMC-02: Workshop in Medicinal Chemistry, UFPB, Paraiba, Brasil, 2017 organized by researches from Department of Chemistry, Programa de Pós-Graduação em Produtos Naturais e Sintéticos Bioativos (PgPNSB - Postgraduate Program in Natural Products and Synthetic Bioactive) and Hospital Universitário of Universidade Federal da Paraíba (UFPB). This year the WRSAMC is dedicate to the PgPNSB 40th Anniversary.

NIXMSM-03 is going to publish the works presented at WUCH01: UCH Workshop Series on Multidisciplinary Sciences, Valencia, Spain, 1st edition. This is one scientific conference series for professors, researchers, and young scientists; with special emphasis on the active participation of graduated students of the CEU Cardinal Herrera University (UCH), Valencia, Spain. The main source of papers of this workshop are the results presented by the professors and students of the UCH on their 14th Students International Congress. This congress was hold in person on July 2016 at UCH, Montcada, Valencia, Spain.

NXIMSM-01 also publish the works presented on the UPVEHUDW01: First UPV-EHU DELFIN Program Workshop, Bilbao, Jul, 2017 is a scientific and educational workshop organized by professors of the University of the Basque Country (UPV/EHU) and IKERBASQUE, Basque Foundation for Sciences. The workshops is associated to the MOL2NET International Conference Series on Multidisciplinary Sciences, MDPI Sciforum, Basel, Switzerland. The workshop aim is to promote the scientific, educational, and cultural interchange of professors and students of UPV/EHU with students of the international education network DELFIN, Mexico. The DELFIN program was created in 1995 with the aim of strengthening the collaborative culture between the Higher Education Institutions and Research Centers that are members of the Program, through the mobility of professors-researchers, students and the dissemination of scientific and technological products. In particular to strengthen the development of research and national graduate. Specifically, student mobility is promoted through academic research stays, within the framework of the Summer of Scientific and Technological Research of the Pacific. This mobility program strengthens the vocation of young people for science and technology and influences their decision to join postgraduate programs at home and abroad.

NIXMSM-03 is the host of the workshop SIUSCI-01. SIUSCI-01 workshop series will be held at San Ignacio University (SIU), FL, Miami, USA. San Ignacio University is an innovative educational institution dedicated to the creation of the leaders of tomorrow accredited by the Accrediting Council for Independent Colleges and Schools (ACICS). The present workshop focus on topics of multidisciplinary sciences relevant to the interests of SIU students and professors. SIUSCI-01 is also devoted to strength the collaborations and networking between SIU professors and students with other students and researchers in FL education system and worldwide.

Abstract preparation and submission

We strongly recommend you to read carefully the notes to participants at the following page [Instructions to authors] about publication model, copyright, authors responsibilities, etc. Submit your communications in two steps, first submit your title, authors, and abstract. Next, upload your communication after abstract approval.

Steps for Participation

(0) Register, Sign in/Login, to Sciforum platform [Sciforum login] (All the year)

(1) Submit the title and abstract, select a section or workshop (do not upload paper here) [Submit New Abstract] (until Dec-15)

(2) Wait for Sciforum abstract acceptance email, follow the link, and/or login to upload paper, doc and pdf format (until Dec-15)

(3) Download template doc and prepare your communication [IWIMSM Template File.doc] (until Dec-15)

(4) Wait for paper acceptance and publication emails (follow link to proofread your paper) (Asap after upload)

(5) Communicate with chairpersons if corrections are necessary, including past editions (All the year)

(6) Log in to post comments, questions, or answers in a section or one of the workshops (Dec-15 to Dec-20)

(7) Contact chairpersons if you need author (publication) or attendance (posting) certificate for conference and/or workshops (All the year)

Honor Scientific Committee (Chairpersons)

Prof. Gloria Castellano, Email: [email protected]
Director of Department of Experimental Sciences and Mathematics,
Catholic University of Valencia (UCV), Valencia, Spain.
Editor of NEREIS, ISSN: 1888-8550, Revista Iberoamericana
Interdisciplinar de Métodos, Modelización y Simulación

Prof. Francisco Torrens, Email: [email protected]
Institute of Molecular Science (ICMol),
University of Valencia (UV), Valencia, Spain.

Prof. David Quesada, Email: [email protected]
Director of Dept. of Mathematics, Miami Dade Colege (MDC), Miami, FL, USA.

Prof. Marcus Tullius Scotti, Emails: [email protected], [email protected]
Departamento de Química, Centro de Ciências Exatas e da Natureza,
Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

Prof. Jose L Medina-Franco,
National Autonomous University of Mexico (UNAM), México.

Prof. María Auxiliadora Dea Ayuela, Email: [email protected]
CEU Cardenal Herrera University, Moncada, Valencia, Spain.

SIUSCI committee

Prof. Lazaro Pino, Email: [email protected]
San Ignacio University (SIU), Campus Miami, FL, Miami, USA.

Prof. Maykel Cruz Monteagudo, Consultant, Univ. of Miami, Prof. West Coast University, FL, USA.

Prof. Xiomara Cabrera, San Ignacio University (SIU), Campus Miami, FL, Miami, USA.

Prof. Tania Sureda, Miami Dade College (MDC), Miami, FL, USA.

WRSAMC-02 Scientific Committee

Prof. Luciana Scotti, (WRSAMC-02 Committee Presedient), Emails: [email protected]com
Hospital Universitário, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

Prof. Francisco Jaime Bezerra Mendonça Junior, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

Prof. JoseanFechine Tavares, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

Prof. Fabiana de Andrade Cavalcante Oliveira, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

Prof. BagnoliaAraujo Costa, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

Prof. Mateus Feitosa Alves, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

Prof. Vicente Carlos de Oliveira Costa, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

M.Sc. Lucas Silva Abreu, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

M.Sc. Yuri Mangueira Do Nascimento, Universidade Federal da Paraíba - Campus I, João Pessoa, Paraíba, Brasil.

NIXMSM-03 Scientific Committee

Prof. Gloria Castellano, Dir. Dept. of Exp. Sci. and Math., Catholic University of Valencia (UCV), Valencia, Spain.

Prof. Francisco Torrens, Inst. of Molecular Science (ICMol), Univ. of Valencia (UV), Valencia, Spain.

Prof. James Robert Green, Dept. of Systems and Comput. Eng., Carleton University, Canada.

Prof. Jorge Gálvez, Dept. of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.

Prof. Ramon García-Domenech, Dept. of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.

Prof. Oscar M. Rivera Borroto, Mathematics, Houston Community College, Houston, TX, USA.

Prof. Natalia D.S. Cordeiro, Department of Chemistry and Biochemistry, University of Porto, Porto, Portugal.

Prof. Enrique Onieva, DEUSTOTECH Institute, University of Deusto, Bilbao, Spain.

Prof. Carlos Velazquez Martinez, Faculty of Pharmacy & Pharmaceutical Sciences, University of Alberta, Canada.

Prof. Facundo Pérez Giménez, Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.

Dr. Carlos Polanco González, Dept. of Mathematics, Universidad Nacional Autonoma de México (UNAM), México.

Prof. Jesus V. De Julián Ortiz, Department of Physical Chemistry, University of Valencia, Spain.

Dr. Guillermin Agüero, CIIMAR/CIMAR, University of Porto, Portugal.

Dr. Maria Galvez-Llompart, Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.

Dr. Riccardo Zanni, Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.

Prof. Alejandro Pazos, Ph.D., M.D., Director of Department of Computation, University of Coruña (UDC), Coruña, Spain.

Prof. Cristian R. Munteanu, Department of Computation, University of Coruña (UDC), A Coruña, Spain.

Prof. Juan M. Ruso, Dept. of Applied Physics, University of Santiago de Compostela (USC), Spain.

Dr. Jose Correa Basurto, Escuela Superior de Medicina, IPN, México.

Prof. Aleksey E. Kuznetsov, Universidad Técnica Federico Santa María, Santiago, Chile.

PhD. Gisselle Pérez-Machado, EPIDISEASE S.L. CIBERER, Valencia, Spain.

Prof. Carolina Horta Andrade, Universidade Federal de Goias, Setor Leste Universitario, Goiania, Brazil.

Prof. Yovani Marrero-Ponce, University San Francisco de Quito, Cumbayá, Quito, Ecuador.

Dr. Guillermin Agüero, CIIMAR, Interdisc. Centre of Marine and Environ. Research, Univ. of Porto, Portugal.

Prof. Eduardo Tejera, Bio-Cheminformatics, Universidad de Las Americas (UDLA), Quito, Ecuador.

Dr. Fabien Plisson. CINVESTAV- UGA-LAENGEBIO Mexico.

EHUDW-01 Scientific Committee

Prof. Dr. Susana Serrano Gazteluurrutia, Email: [email protected]
Department of Public Law, Faculty of Law, University of the Basque Country UPV/EHU, Campus Biscay

Prof. Dr. Guillermo Quindós, Email: [email protected],
Department of Immunology, Microbiology, and Parasitology,
University of the Basque Country UPV/EHU, Campus Biscay

Prof. Dr. Elena Eraso Barrio, Email: [email protected],
Department of Immunology, Microbiology, and Parasitology,
University of the Basque Country UPV/EHU, Campus Biscay

Prof. Dr. Sonia Arrasate, Email: [email protected]
Department of Organic Chemistry II, University of Basque Country (UPV/EHU), Campus Biscay

NIXMSM-01 Honor Advisory Chairman

Prof. Humberto González-Díaz H., IKERBASQUE Professor, Email: [email protected]
(1) Department of Organic and Inorganic Chemistry and Basque Centre for Biophysics,
University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.

NIXMSM-01 ICTs & Regulatory Affairs Chairperson
Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. TICs & Legal Sciences),
Chair in Law & The Human Genome Research Group, Faculty of Law,
University of The Basque Country UPV/EHU, Leioa (Bilbao), Biscay,
PANELFIT H2020, Project Manager & EDC Board Coordinator, Europe Commission.

Congress Chairs

Dr. Gloria Castellano

Professor Francisco Torrens

Show all published submissions (35) and accepted abstracts (10)

Submissions

List of Papers (35) Toggle list

List of Accepted Abstracts (10) Toggle list

11. no used

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Congress Chairs

Ms. Aliuska Duardo-Sanchez

Dr. Esvieta Tenorio-Borroto

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MOL2NET'17, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 3rd ed.

15 Jan–15 Dec 2017

Welcome from the Chair

MOL2NET-MDPI JCR Journals Issues

Conference Organizers

Conference Chairs

MOL2NET'17 CONGRESSES

Instructions for Authors

List of accepted submissions (175)

List of Authors (487)

Honor Advisory Committee

Scientific Committee (Abroad)

Presidents of the Abroad Scientific Committee

Abroad Scientific Committee (North America)

Members of Scientific Committee (Europe)

Members of Scientific Committee (Other Regions)

Scientific Committee (Local)

Coordinator Scientific Committee (Neurosciences)

Scientific Committee Members

Scientific Committee Members (UPV/EHU)

Co-Chairs Committee

Co-Chairs (Theoretical Sciences)

Dr. S.C. Basak,

Headquarters & Institutional Co-Chairs

JCR Journals Special Issues

Nanomaterials

International Journal of Molecular Sciences

Workshops/Sections Schedule

MOL2NET Workshops/Sections Schedule

Notes on Topics

About This Conference

IKERBASQUE Committee

00. Editorial & Proceedings Book

Welcome Message

MOL2NET Sponsors

Submissions

01. CHEMBIOINFO-03: Chem-Bioinformatics Congress Cambridge, UK-Chapel Hill and Richmond, USA, 2017

CHEMBIPINFO Honor Co-Host Chairpersons

Submissions

02. CHEMBIOMOL-03: Chem. Biol. & Med. Chem. Workshop, Rostock, Germany-Bilbao, Spain-Galveston, Texas, USA, 2017

Submissions

03. USEDAT-03: USA-EU Data Analysis Training Prog. Work., Cambridge, UK-Bilbao, Spain-Duluth, USA, 2017

USEDAT Workshop

Submissions

04. SRI-09: 9th Summer Research Institute Symposium, STU-MDC, Miami, USA, 2017

Welcome Message

SRI Chairman

Scientific Committee

Advisory Committee

Advisory Chair

Submissions

11. NANOBIOMATJND-03: JSU-NDSU Nanotech. & Mat. Sci. Workshop, Jackson & Fargo, USA, 2017

Submissions

08. TECHLAWSCI-01: PANELFIT & NKL H2020 Tech. Law. & Sci. Challenges, Bilbao, Spain, Halden, Norway, Baltimore, USA, 2017

Workshop Chairperson

Dr. Aliuska Duardo-Sanchez (Law.Lic., Ph.D. Legal Informatics)

Honor Advisory Committee

Headquarters Institutional Committee

Prof. Dr. Mª Pilar Nicolás Jiménez (Faculty Vice Dean)

Scientific Advisory Committee (Abroad)

Prof. Guillermo Velasco Fabra (Commercial Law)

Prof. Marcos Almeida (Public Law)

Prof. Josefina Chinea Guevara (Family Law)

Ph.D. Vanessa Aguiar Pulido (Computational Sciences)

Prof. Juan A. Lecaros Urzua (Law & Bioecthics)

Lic. Dainerys Hernádez-Valle (Phsycology & Society)

Scientific Committee (Local)

Lic. Iker Conal

Submissions

09. MODECO-02: Workshop on Molecular Diversity & Ecosystems, Puyo, Ecuador-Porto, Portugal, 2017

Submissions

10. EJIBCE-01; Meeting of Young Researchers in Structural Computational Biology, UC, Coimbra, Portugal, 2017

About

Mission & Objectives

EJIBCE 2017

Guest Speakers

Statement of Responsibility

Chairpersons

Irina Moreira, E-mail: [email protected]Center for Neuroscience and Cell Biology (CNC)Universidade de Coimbra, Coimbra, Portugal; Bijvoet Center for Biomolecular Research, Faculty of Science-Chemistry, Utrecht University, Utrecht, The Netherlands. http://orcid.org/0000-0003-2970-5250

Irina Moreira, E-mail: [email protected]
Center for Neuroscience and Cell Biology (CNC)
Universidade de Coimbra, Coimbra, Portugal;
Bijvoet Center for Biomolecular Research,
Faculty of Science-Chemistry, Utrecht University,
Utrecht, The Netherlands.
http://orcid.org/0000-0003-2970-5250