How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations

Science

Volumn 303, Issue 5655, 2004, Pages 186-195

  Garcia Viloca, Mireia ^a   Gao, Jiali ^a   Karplus, Martin ^b,c   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

^b HARVARD UNIVERSITY   (United States)

^c UNIVERSITÉ LOUIS PASTEUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; COMPUTER SIMULATION; ENZYME KINETICS; FREE ENERGY;

TRANSITION STATE THEORY;

ENZYMES;

CATALYSIS; COMPUTER SIMULATION; ENZYME;

ANALYTIC METHOD; CATALYSIS; COMPUTER SIMULATION; ENZYME ACTIVITY; ENZYME ANALYSIS; ENZYME KINETICS; ENZYME MECHANISM; PRIORITY JOURNAL; QUANTUM MECHANICS; REVIEW;

CATALYSIS; COMPUTER SIMULATION; ENZYMES; KINETICS; MATHEMATICS; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 0346726109     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1088172     Document Type: Review

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131. We thank A. S. Mildvan, G. A. Petsko, and R. L. Schowen for helpful comments on the manuscript. M.K. and D.G.T. thank A. Kuppermann for many discussions concerning reaction rate theory; the idea of doing this review first arose in a discussion at his 75th birthday symposium in which both of us participated. One of the authors (M.K.) thanks D. Case for illuminating discussions of reaction rate theory, which took place about 30 years ago. This work was supported in part by grants from the NSF and NIH. M.G.-V. thanks the Fulbright Commission and the Government of Catalonia for a scholarship.