Description

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

Trade Review
". . . 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

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.

Computer Modeling of Chemical Reactions in

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    A Paperback by Arieh Warshel

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      Book details

      Publisher Wiley
      Published 5/30/1997 12:00:00 AM
      ISBN-13 9780471184409
      978-0471184409
      ISBN-10 0471184403
      Also in:
      Chemistry Polymer chemistry

      Description

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

      Trade Review
      ". . . 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

      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.

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