Molecular Modelling: Principles and Applications - Softcover

Andrew R. Leach

Softcover

ISBN 10: 0582239338 ISBN 13: 9780582239333

Publisher: Longman Pub Group, 1997

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.

About this title

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

About the Author

Dr. Andrew Leach is a Group Leader in Computational Chemistry and Informatics at Glaxo Wellcome Research and Development.

Edition details

• Publisher: Longman Pub Group
• Publication date: 1997
• Language: English
• ISBN 10: 0582239338
• ISBN 13: 9780582239333
• Binding: Paperback
• Number of pages: 616