Theoretical insights into the mechanism of acetylcholinesterase-catalyzed acylation of acetylcholine

Journal of Computational Chemistry

Volumn 26, Issue 6, 2005, Pages 606-611

  Manojkumar, T K ^a   Cui, Chunzhi ^a   Kim, Kwang S ^a  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

Author keywords

Ab initio calculations; Acetylcholinesterase; Acylation; Hydrogen bonds

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; COMPUTATIONAL METHODS; ENZYMES; HYDROGEN BONDS; HYDROLYSIS; MUTAGENESIS; REACTION KINETICS; X RAY DIFFRACTION ANALYSIS;

AB INITIO CALCULATIONS; ACETYLCHOLINESTERASE; SUBSTRATE RECOGNITION; TRANSITION STATE STRUCTURES;

ACYLATION;

ACETYLCHOLINE; ACETYLCHOLINESTERASE;

ACYLATION; ARTICLE; CATALYSIS; CHEMISTRY; HYDROGEN BOND; METABOLISM; THEORETICAL MODEL; THERMODYNAMICS;

ACETYLCHOLINE; ACETYLCHOLINESTERASE; ACYLATION; CATALYSIS; HYDROGEN BONDING; MODELS, THEORETICAL; THERMODYNAMICS;

EID: 16244414333     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20199     Document Type: Article

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