Computer modelling of enzyme catalysed reaction mechanisms

Protein Engineering

Volumn 6, Issue 2, 1993, Pages 133-147

  Richards, W Graham ^a   Mulholland, Adrian J ^a   Grant, Guy H ^b  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

Computer simulation; Energy profiles; Enzyme mechanisms; MO calculations; Molecular dynamics

Indexed keywords

CARBONATE DEHYDRATASE; CARBOXYPEPTIDASE; LYSOZYME; SERINE PROTEINASE;

CLUSTER ANALYSIS; COMPUTER MODEL; ENZYME KINETICS; ENZYME MECHANISM; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REACTION ANALYSIS; REVIEW; SITE DIRECTED MUTAGENESIS; STEREOCHEMISTRY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; ALLOSTERIC REGULATION; BINDING SITES; CATALYSIS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; ENZYMES; KINETICS; MODELS, CHEMICAL; MONTE CARLO METHOD; MUTAGENESIS, SITE-DIRECTED; PROTEIN CONFORMATION; QUANTUM THEORY; SUPPORT, NON-U.S. GOV'T;

EID: 0027506191     PISSN: 02692139     EISSN: 17410134     Source Type: Journal    
DOI: 10.1093/protein/6.2.133     Document Type: Article

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