Molecular Modelling Principles and Applications

Name: Molecular Modelling Principles and Applications
Price: 51.18 USD
Availability: InStock
ISBN: 9780582382107

ISBN-10: 0582382106

ISBN-13: 9780582382107

Edition: 2nd 2001 (Revised)

Authors: Andrew Leach

List price: $213.32

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This important new edition is for graduate students studying Molecular Modelling, Computational Chemistry within Chemistry, Medicinal Chemistry and Biochemistry. Postgraduates and researchers in academia and in the chemical and pharmaceutical industries. This new edition introduces background theory and techniques of molecular modelling, also illustrates applications in studying physical, chemical and biological phenomena. It includes simple numerical examples and numerous explanatory figures and a colour plate section.

Book details

List price: $213.32
Edition: 2nd
Copyright year: 2001
Publisher: Pearson Education
Publication date: 1/29/2001
Binding: Paperback
Pages: 768
Size: 6.70" wide x 9.10" long x 1.70" tall
Weight: 3.080
Language: English



Preface. Symbols and physical constants



Useful Concepts in Molecular Modelling



An Introduction to Computational Quantum Mechanics



Advanced AB Initio Methods, Density Functional Theory and Solid-State Quantum Mechanics



Force Field Models: Molecular Mechanics



Energy Minimisation and Related Methods for Exploring the Energy Surface



Computer Simulation Methods



Molecular Dynamics Simulation Methods



Monte Carlo Simulation Methods



Conformational Analysis



Protein Structure Prediction, Sequence Analysis and Protein Folding



Four Challenges in Molecular Modelling: Free Energies, Solvation, Reactions and Solid-State Defects



The Use of Molecular Modelling and Chemoinformatics to Discover and Design New Molecules