On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach. [electronic resource]
Producer: 20170919Description: 666-675 p. digitalISSN:- 1439-7633
- 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
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Publication Type: Journal Article; Research Support, Non-U.S. Gov't
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