Computer Modeling of Chemical Reactions in Enzymes and Solutions

Auteur

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.

Texte du rabat

This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

Résumé
This practical reference explores computer modeling of enzyme reactions - techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

Contenu

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.