Molecular Modelling: Principles and Applications

Andrew R. Leach

ISBN 10: 0582239338 / ISBN 13: 9780582239333

Published by Longman Pub Group, 1997

Connecting readers with great books since 1972! Used textbooks may not include companion materials such as access codes, etc. May have some wear or writing/highlighting. We ship orders daily and Customer Service is our top priority! Seller Inventory # S_433475535

Synopsis:

Provides a broad introduction to the techniques employed in molecular modeling and computational chemistry. The first part covers quantum mechanics and the second deals with the energy models such as minimization, molecular dynamics and Monte Carlo simulations. Paper.

From the Back Cover:

This important new edition is for postgraduate students of Chemistry, Medicinal Chemistry and Biochemistry studying Molecular Modelling and Computational Chemistry. The book will also be useful to researchers in academia and in the pharmaceutical and chemical industries and to those teaching or attending courses in molecular modelling.

This new edition provides background theory in the techniques of molecular modelling,
illustrated with applications form the physical, chemical and biological sciences. It includes simple numerical examples and numerous explanatory figures and a colour plate section.

Key changes in this new edition

* expanded coverage of materials science and solid-state modelling
* extended chapter on drug design and chemoinformatics
* new chapter on protein structure including bioinformatics
* expanded coverage of Density Functional Theory

Dr Andrew Leach is a Group Leader at Glaxo Wellcome Research and Development Limited and a Visiting Fellow at the Department of Chemistry, University of Southampton, UK

Bibliographic Details

Title: Molecular Modelling: Principles and ...
Publisher: Longman Pub Group
Publication Date: 1997
Binding: paperback
Condition: Good