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Journal of the American Chemical Society

Volumn 127, Issue 19, 2005, Pages 6940-6941

Multiple-steering QM-MM calculation of the free energy profile in chorismate mutase

(4) Crespo, Alejandro a,b Martí, Marcelo A a Estrin, Darío A a Roitberg, Adrian E b

a Instituto de Quimica Fisica de los Materiales Medio Ambiente y Energia (Argentina)

b University of Florida (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHORISMATE MUTASE;

ARTICLE; CATALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; ENTHALPY; ENTROPY; ENZYME ACTIVATION; ENZYME ACTIVE SITE; ENZYME ACTIVITY; MOLECULAR MECHANICS; PHASE TRANSITION; QUANTUM MECHANICS;

CHORISMATE MUTASE; CHORISMIC ACID; CYCLOHEXANECARBOXYLIC ACIDS; CYCLOHEXENES; QUANTUM THEORY; THERMODYNAMICS;

EID: 18744400238 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0452830 Document Type: Article

Times cited : (101)

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