Elucidating the nature of enzyme catalysis utilizing a new twist on an old methodology: Quantum mechanical-free energy calculations on chemical reactions in enzymes and in aqueous solution

Accounts of Chemical Research

Volumn 34, Issue 1, 2001, Pages 72-79

  Kollman, P A ^a   Kuhn, B ^a   Donini, O ^b   Perakyla, M ^c   Stanton, R ^d   Bakowies, D ^e  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b Kinetek Pharmaceuticals Inc   (Canada)

^c UNIVERSITY OF EASTERN FINLAND   (Finland)

^d DUPONT COMPANY   (United States)

^e ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CATECHOL METHYLTRANSFERASE; CITRATE SYNTHASE; ENZYME; SERINE PROTEINASE; TRYPSIN; WATER;

AQUEOUS SOLUTION; ARTICLE; CATALYSIS; ENERGY TRANSFER; ENZYME ACTIVITY; ENZYME MECHANISM; HYDROGEN BOND; MOLECULAR DYNAMICS; QUANTUM MECHANICS; QUANTUM THEORY; REACTION ANALYSIS;

CATALYSIS; ENZYMES; QUANTUM THEORY; WATER;

EID: 0035155864     PISSN: 00014842     EISSN: None     Source Type: Journal    
DOI: 10.1021/ar000032r     Document Type: Article

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