Computer Modeling of Chemical Reactions in Enzymes and Solutions

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.

• 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.

". . . 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