Enzymatic reactions play a fundamentally important role in controlling and performing most
life processes. 1-3 Thus, understanding how enzymes work has both fundamental and�…

Enzymatic reactions are involved in most biological processes. Thus, there is a major
practical and fundamental interest in finding out what makes enzymes so efficient. Many�…

Most enzymatic reactions have very large and remarkably similar apparent second-order
rate constants, kcat/KM, at mean values of about 107 M-1 s-1 with kcat in the range of 10�…

The steric effect, exerted by enzymes on their reacting substrates, has been considered as a
major factor in enzyme catalysis. In particular, it has been proposed that enzymes catalyze�…

Despite being so large, many enzymes are not only excellent electrocatalysts–making
possible chemical transformations under almost reversible conditions–but they also facilitate�…

Quantitative studies of the energetics of enzymatic reactions and the corresponding
reactions in aqueous solutions indicate that charge stabilization is the most important energy�…

In this tutorial review we show how the methods and techniques of computational chemistry
have been applied to the understanding of the physical basis of the rate enhancement of�…

Some half-century ago Pauling (1, 2) proposed that the lowering of the activation energy in
enzyme catalysis stems from the enzyme's affinity for the transition state exceeding it's�…

The interest in the structural basis for the action of proteins dates back to 1894 when Emil
Fischer1 intro-duced the idea that an enzyme and its substrate have a structural�…

Computational methodologies are playing increasingly important roles in elucidating and
presenting the complete and detailed mechanisms of enzymatic reactions because of their�…