Molecular Modelling: Principles and Applications

Molecular Modelling: Principles and Applications

by Andrew R. Leach
     
 

ISBN-10: 0582239338

ISBN-13: 9780582239333

Pub. Date: 10/30/1996

Publisher: Addison-Wesley

Product Details

ISBN-13:
9780582239333
Publisher:
Addison-Wesley
Publication date:
10/30/1996
Edition description:
Older Edition
Pages:
595
Product dimensions:
6.18(w) x 9.24(h) x 1.41(d)

Table of Contents

Molecular Modeling: Definitions, Historical Background and Some Introductory Concepts.
Quantum Mechanical Model.
Empirical Force Field Models.
Molecular Mechanics.
Energy Minimization and Other Methods for Exploring the Energy Surface.
An Introduction to Computer Simulation Methods.
Molecular Dynamics.
Monte Carlo Simulation Methods.
Conformational Analysis.
Three Challenges in Molecular Modeling: Free Energies, Solvation and Simulating Reactions.
The Use of Molecular Modeling to Discover and Design New Molecules.

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