Electrostatic basis for enzyme catalysis

Article Abstract:

An explanation is provided on the origin of the catalytic power of enzymes by clarifying the confusions regarding the reference state by introducing a catalytic scale that does not include the well understood effect of having different mechanisms in the enzyme and in solution as well as the affect of the binding of the reactant state. A demonstration is presented that the effect of the enzyme environment can be much larger than the estimated 15 kcal/mol

Electrostatics

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Advances in time-resolved approaches to characterize the dynamical nature of enzymatic catalysis

Article Abstract:

A discussion of time-resolved approaches to the characterization of the dynamical nature of the enzymatic catalysis and their application to specific enzyme systems is presented. The use of a trigger method to initiate chemical or structural changes in a system, combined with a structural probe which follows the evolution of the system in time is the essential feature of time-resolved studies.

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Mechanisms and free energies of enzymatic reactions

Article Abstract:

A summary of computational studies of the mechanisms and free energies of selected enzymatic reactions is presented. Computational approaches for enzymatic reactions are highlighted with special emphasis on two key elements affecting the computational accuracy, namely the potential energy function and the statistical mechanical sampling of the enzyme system.

Chemical reactions

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