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- Title
How enzymes work: analysis by modern rate theory and computer simulations.
- Authors
Garcia-Viloca, Mireia; Gao, Jiali; Karplus, Martin; Truhlar, Donald G
- Abstract
Advances in transition state theory and computer simulations are providing new insights into the sources of enzyme catalysis. Both lowering of the activation free energy and changes in the generalized transmission coefficient (recrossing of the transition state, tunneling, and nonequilibrium contributions) can play a role. A framework for understanding these effects is presented, and the contributions of the different factors, as illustrated by specific enzymes, are identified and quantified by computer simulations. The resulting understanding of enzyme catalysis is used to comment on alternative proposals of how enzymes work.
- Publication
Science (New York, N.Y.), 2004, Vol 303, Issue 5655, p186
- ISSN
1095-9203
- Publication type
Journal Article
- DOI
10.1126/science.1088172