TY  - GEN
AU  - Driant,Thomas
AU  - Nachon,Florian
AU  - Ollivier,Cyril
AU  - Renard,Pierre-Yves
AU  - Derat,Etienne
TI  - On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach
SN  - 1439-7633
PY  - 2017///0919
KW  - Acetylcholinesterase
KW  - chemistry
KW  - Catalytic Domain
KW  - Cholinesterase Inhibitors
KW  - Cholinesterase Reactivators
KW  - Computer Simulation
KW  - Glutamic Acid
KW  - Histidine
KW  - Models, Chemical
KW  - Molecular Structure
KW  - Organophosphates
KW  - Organothiophosphorus Compounds
KW  - Pralidoxime Compounds
KW  - Protons
KW  - Quantum Theory
KW  - Serine
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1002/cbic.201600646
ER  -