On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach.
Driant, Thomas
On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach. [electronic resource] - Chembiochem : a European journal of chemical biology 04 2017 - 666-675 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1439-7633
10.1002/cbic.201600646 doi
Acetylcholinesterase--chemistry
Catalytic Domain
Cholinesterase Inhibitors--chemistry
Cholinesterase Reactivators--chemistry
Computer Simulation
Glutamic Acid--chemistry
Histidine--chemistry
Models, Chemical
Molecular Structure
Organophosphates--chemistry
Organothiophosphorus Compounds--chemistry
Pralidoxime Compounds--chemistry
Protons
Quantum Theory
Serine--chemistry
On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach. [electronic resource] - Chembiochem : a European journal of chemical biology 04 2017 - 666-675 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1439-7633
10.1002/cbic.201600646 doi
Acetylcholinesterase--chemistry
Catalytic Domain
Cholinesterase Inhibitors--chemistry
Cholinesterase Reactivators--chemistry
Computer Simulation
Glutamic Acid--chemistry
Histidine--chemistry
Models, Chemical
Molecular Structure
Organophosphates--chemistry
Organothiophosphorus Compounds--chemistry
Pralidoxime Compounds--chemistry
Protons
Quantum Theory
Serine--chemistry