Computer Modeling of Chemical Reactions in Enzymes and Solutions

Computer Modeling of Chemical Reactions in Enzymes and Solutions

by Arieh Warshel

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Overview

Computer Modeling of Chemical Reactions in Enzymes and Solutions by Arieh Warshel

Examines computer modeling of enzyme reactions (including enzyme kinetics), techniques popular in the fields of physical, organic, and biochemistry as well as pharmaceutical research. Includes practical computer exercises and sample computer programs which can be run on a PC. The programs serve as simple illustrations of the different concepts of computer modeling and as an introduction to more versatile computer modeling packages which can be run on mainframes. Also provides an introduction to the rapidly growing field of computer simulation and modeling of macromolecules, emphasizing structure-function correlation in proteins and the action of enzymes.

Product Details

ISBN-13: 9780471533955
Publisher: Wiley
Publication date: 11/15/1991
Pages: 248
Product dimensions: 6.50(w) x 9.45(h) x 0.98(d)

Table of Contents

Basic Principles of Chemical Bonding.
Chemical Reactions in the Gas Phase and in Simple Solvent Models.
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 the Catalytic Reaction of Lysozyme.
Serine Proteases and the Examination of Different Mechanistic Options.
Simulating Metalloenzymes.
How Do Enzymes Really Work?
Index.

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