Event submissions
Published
This submission belongs to the session I. Structure of Cholinesterases of the event The 2nd International Online Conference on Crystals
Published date
13 Nov, 2020
Citation
Andrey Kovalevsky, Oksana Gerlits, Lukas Gorecki, Xiaotian Kong, Xiaolin Cheng, Donald Blumenthal, Palmer Taylor, Carlo Ballatore, Zoran Radić, Accelerating structure-based design of rapid uncharged reactivators of organophosphate-inhibited human acetylcholinesterase by joint X-ray/neutron mechanistic studies, in Proceedings of The 2nd International Online Conference on Crystals, 10 November–20 November 2020, MDPI: Basel, Switzerland, doi: 10.3390/IOCC_2020-08037
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Accelerating structure-based design of rapid uncharged reactivators of organophosphate-inhibited human acetylcholinesterase by joint X-ray/neutron mechanistic studies
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Andrey Kovalevsky 1
Oksana Gerlits 2
Lukas Gorecki 3
Xiaotian Kong 4
Xiaolin Cheng 4
Donald Blumenthal 5
Palmer Taylor 3
Carlo Ballatore 3
Zoran Radić 3
1. Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831
2. Department of Natural Sciences, Tennessee Wesleyan University, Athens, TN 37303, United States
3. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093-0650
4. Division of Medicinal Chemistry & Pharmacognosy, College of Pharmacy, Ohio State University, Columbus, OH 43210
5. Department of Pharmacology and Toxicology, University of Utah, Salt Lake City, UT 84112
Abstract
Keywords
human acetylcholiesterase
X-ray and neutron crystallography
room temperature
reactivator design