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Journal of the American Chemical Society

Volumn 124, Issue 12, 2002, Pages 3093-3124

Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: Effect of geometry and tunneling on proton-transfer rate constants

(2) Cui, Qiang a Karplus, Martin a,b

a HARVARD UNIVERSITY (United States)

b UNIVERSITÉ LOUIS PASTEUR (France)

Author keywords

[No Author keywords available]

Indexed keywords

PROTON TRANSFER;

ELECTRON TUNNELING; ISOMERIZATION; ISOMERS; ISOTOPES; POTENTIAL ENERGY; PROTONS;

ENZYMES;

ISOTOPE; TRIOSEPHOSPHATE ISOMERASE;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL REACTION; ENERGY TRANSFER; GEOMETRY; ISOMERISM; KINETICS; MOLECULAR MECHANICS; PHASE TRANSITION; PROTON TRANSPORT; QUANTUM MECHANICS; THEORY; VIBRATION;

BINDING SITES; CATALYSIS; KINETICS; MODELS, MOLECULAR; PROTONS; QUANTUM THEORY; THERMODYNAMICS; TRIOSE-PHOSPHATE ISOMERASE; WATER;

EID: 0037181354 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0118439 Document Type: Article

Times cited : (136)

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