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Volumn 60, Issue 11, 2011, Pages 2196-2204

Quantum mechanical/molecular mechanical analysis of mechanisms of enzyme action. Human acetylcholinesterase

(5) Lushchekina, S V a Kaliman, I A b Grigorenko, B L b Nemukhin, A V a,b Varfolomeev, S D a,b

a EMANUEL INSTITUTE OF BIOCHEMICAL PHYSICS (Russian Federation)

b MOSCOW STATE UNIVERSITY (Russian Federation)

Author keywords

acetylcholine; acetylcholinesterase; AMBER force field; BB1K and B3LYP functionals; density functional theory (DFT); QM MM method; quantum subsystem; reaction mechanism

Indexed keywords

EID: 84865501773 PISSN: 10665285 EISSN: 15739171 Source Type: Journal
DOI: 10.1007/s11172-011-0338-x Document Type: Article

Times cited : (4)

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