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Journal of the American Chemical Society

Volumn 124, Issue 28, 2002, Pages 8260-8267

Studying enzyme binding specificity in acetylcholinesterase using a combined molecular dynamics and multiple docking approach

(3) Kua, Jeremy a Zhang, Yingkai a McCammon, J Andrew a

a HOWARD HUGHES MEDICAL INSTITUTE (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DOCKING ENERGY;

CATALYSIS; MOLECULAR DYNAMICS;

ENZYMES;

ACETYLCHOLINE; ACETYLCHOLINESTERASE; CHOLINE; METHYL GROUP;

ARTICLE; BINDING AFFINITY; CATALYSIS; ENERGY; ENZYME ACTIVE SITE; ENZYME BINDING; ENZYME SPECIFICITY; MOLECULAR DYNAMICS; SIMULATION;

ACETOPHENONES; ACETYLCHOLINE; ACETYLCHOLINESTERASE; BINDING SITES; CATALYSIS; CHOLINE; CHOLINESTERASE INHIBITORS; COMPUTER SIMULATION; KINETICS; LIGANDS; MODELS, CHEMICAL; PROTEIN CONFORMATION; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 0037125501 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja020429l Document Type: Article

Times cited : (101)

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