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Journal of the American Chemical Society

Volumn 122, Issue 49, 2000, Pages 12270-12280

QM-FE calculations of aliphatic hydrogen abstraction in citrate synthase and in solution: Reproduction of the effect of enzyme catalysis and demonstration that an enolate rather than an enol is formed

(3) Donini, O a,c Darden, T b Kollman, P A a

a UNIVERSITY OF CALIFORNIA (United States)

b NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES (United States)

c Kinetek Pharmaceuticals Inc (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACID; ALCOHOL DERIVATIVE; ALIPHATIC COMPOUND; CITRATE SYNTHASE; HYDROGEN; IMIDAZOLE;

ARTICLE; CATALYSIS; CITRIC ACID CYCLE; ENERGY TRANSFER; ENZYME MECHANISM; HYDROGEN BOND; QUANTUM MECHANICS;

EID: 0034645570 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja001043i Document Type: Article

Times cited : (33)

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