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Angewandte Chemie - International Edition

Volumn 50, Issue 44, 2011, Pages 10349-10351

"Lethal synthesis" of fluorocitrate by citrate synthase explained through QM/MM modeling

(3) Van Der Kamp, Marc W a McGeagh, John D a Mulholland, Adrian J a

a UNIVERSITY OF BRISTOL (United Kingdom)

Author keywords

ab initio calculations; citrate synthase; computational enzymology; enantioselectivity; enzyme catalysis

Indexed keywords

AB INITIO CALCULATIONS; CITRATE SYNTHASE; COMPUTATIONAL ENZYMOLOGY; ENANTIOSELECTIVE; ENZYME CATALYSIS; ENZYME REACTION; FLUOROCITRATE; HIGH-LEVEL MODELING; INHERENT ENERGY; QM/MM MODELING; STEREOSPECIFICITY;

CALCULATIONS; ENANTIOSELECTIVITY; SYNTHESIS (CHEMICAL);

ENZYMES;

ACETYL COENZYME A; CITRATE SYNTHASE; CITRIC ACID; FLUOROACETYL COENZYME A; FLUOROACETYL-COENZYME A; FLUOROCITRIC ACID;

ARTICLE; BIOSYNTHESIS; CHEMISTRY; QUANTUM THEORY;

ACETYL COENZYME A; CITRATE (SI)-SYNTHASE; CITRATES; QUANTUM THEORY;

EID: 80055018023 PISSN: 14337851 EISSN: 15213773 Source Type: Journal
DOI: 10.1002/anie.201103260 Document Type: Article

Times cited : (19)

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