Transition state theory for enzyme kinetics

[Display omitted] •I discuss the foundations of transition state theory.•The use of free energy surfaces is explained.•I emphasize ensemble-averaged variational transition state theory for enzyme kinetics.•Quantum effects – tunneling and zero point energy – have important effects on rates. This arti...

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Bibliographic Details
Published inArchives of biochemistry and biophysics Vol. 582; pp. 10 - 17
Main Author Truhlar, Donald G.
Format Journal Article
LanguageEnglish
Published United States Elsevier Inc 15.09.2015
Subjects
Enzyme Activation
Enzyme kinetics
enzymes
Enzymes - metabolism
Free energy
Gibbs free energy
Kinetics
Models, Biological
Quantum effects
Quantum Theory
Thermodynamics
Transition state theory
Tunneling
Tunneling
Transition state theory
Quantum effects
Enzyme kinetics
Free energy
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Summary:[Display omitted] •I discuss the foundations of transition state theory.•The use of free energy surfaces is explained.•I emphasize ensemble-averaged variational transition state theory for enzyme kinetics.•Quantum effects – tunneling and zero point energy – have important effects on rates. This article is an essay that discusses the concepts underlying the application of modern transition state theory to reactions in enzymes. Issues covered include the potential of mean force, the quantization of vibrations, the free energy of activation, and transmission coefficients to account for nonequilibrium effect, recrossing, and tunneling.
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ISSN:0003-9861
1096-0384
DOI:10.1016/j.abb.2015.05.004