Computer Modeling of Chemical Reactions in Enzymes and Solutions / Edition 1

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

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Editorial Reviews

From the Publisher
". . . 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
Contains nine contributions which explain how to correlate a given enzyme structure with its activity, illustrating systematically how to define an assumed mechanism in clear physical terms that can be both modeled and verified by modern computational methods. Can be used in a one-semester course for advanced undergraduate or graduate students. Reprint (first published in 1991). Annotation c. by Book News, Inc., Portland, Or.
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Product Details

  • ISBN-13: 9780471184409
  • Publisher: Wiley
  • Publication date: 3/28/1997
  • Edition number: 1
  • Pages: 256
  • Product dimensions: 6.24 (w) x 9.39 (h) x 0.50 (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?


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