Table of Contents

Basic Principles of Chemical Bonding.

Chemical Reactions in the Gas Phase and in Simple SolventModels.

Chemical Reaction in All-Atom Solvent Models.

Potential Surfaces and Simulations of Macromolecules.

Modeling Reactions in Enzymes: An Introduction.

General Acid Catalysis and Electrostatic Stabilization in theCatalytic Reaction of Lysozyme.

Serine Proteases and the Examination of Different MechanisticOptions.

Simulating Metalloenzymes.

How Do Enzymes Really Work?

Index.

About the Author

Arieh Warshel is an Israeli-American biochemist and biophysicist. He is a pioneer in computational studies on functional properties of biological molecules. He is also a Distinguished Professor of Chemistry and Biochemistry and holds the Dana and David Dornsife Chair in Chemistry at the University of Southern California.

Reviews

". . . strongly recommended to scientists and students who want to advance beyond the menu screen and graphic user interface of their computer.".--Journal of Medicinal Chemistry