## Abstract Energy barriers for enzyme‐catalyzed reactions calculated with quantum mechanics/molecular mechanics (QM/MM) and empirical valence bond (EVB) methods can be in excellent agreement with activation energies derived from experiments, supporting the applicability of transition state theory
Reply to the comment on “A stationary-wave model of enzyme catalysis”
✍ Scribed by Carlo Canepa
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 45 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0192-8651
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✦ Synopsis
Abstract
This letter briefly outlines the grounds that led to an expression for reaction rate co‐efficients based on the incomplete gamma function of Euler. The proposed law explains the catalytic activity of enzymes as an effect of the coupling of active vibrational modes to the reaction coordinate, and predicts the observed negative curvature of the Arrhenius plots of the relevent reactions. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011
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