EventsMOL2NET'18, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 4th ed.
Event submissions
Published
with-doi10.3390/mol2net-04-06125
This submission belongs to the session 06. CHEMBIOMOL-04: Chem. Biol. & Med. Chem. Workshop, Paraiba, Porto, Rostock, Germany-Galveston, Texas, USA, 2018 of the event MOL2NET'18, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 4th ed.
Published date
06 Jan, 2019
Citation
Rafael Santana Nunes, Nuno M. Xavier, Paulo J. Costa, <em>In silico </em>design of halogenated carbohydrate mimetics as potential halogen-bonding ligands, in Proceedings of MOL2NET'18, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 4th ed., 15 January 2018–20 January 2019, MDPI: Basel, Switzerland, doi: 10.3390/mol2net-04-06125
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In silico design of halogenated carbohydrate mimetics as potential halogen-bonding ligands

Rafael Santana Nunes 1,2
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Nuno M. Xavier 2,3
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Paulo J. Costa 1,3
1. BioISI: Biosystems and Integrative Sciences Institute, Faculdade de Ciências da Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal
2. Centro de Quı́mica Estrutural, Faculdade de Ciências da Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal
3. Centro de Química e Bioquímica, DQB, Faculdade de Ciências da Universidade de Lisboa, 1749-016 Lisboa, Portugal
Abstract
Keywords
halogen bonds
glycomimetics
molecular recognition
protein-ligand interactions
electrostatic potential
Manuscript
mol2net-04_MOL2NET-2018-sciforum-023151.pdf
Poster
mol2net-04_MOL2NET-2018-sciforum-023151.pdf
mol2net-04_MOL2NET-2018-sciforum-023151.pdf