Molecular Modeling: Basic Principles and Applications - Softcover

Höltje, Hans-Dieter; Sippl, Wolfgang; Rognan, Didier; Folkers, Gerd

Softcover

ISBN 10: 3527315683 ISBN 13: 9783527315680

Publisher: Wiley-VCH, 2008

Synopsis

Ideal for beginners, this book explains the basics of modeling in a competent yet easily understandable way. Following complete sections on the modeling of small molecules, protein modeling and chemogenomics, completely worked-out examples show the way to the reader's first modeling experiment.
This new, third edition features a new chapter on chemogenomics, reflecting the trend towards 'chemical biology', as well as the protein modeling example being completely rewritten for a better 'feel' of modeling complex biomolecules.
The authors are experienced university teachers who regularly hold courses on molecular modeling, making this a tried-and-tested text for teachers. It is equally valuable for experts, since it is the only book to evaluate the strengths and limitations of the molecular modeling techniques and software currently available.

About this title

About the Author

Hans-Dieter Holtje is director of the Institute of Pharmaceutical Chemistry at the Heinrich-Heine-Universitat Dusseldorf (Germany) where he also holds the chair of Medicinal Chemistry. His main interest is the molecular mechanism of drug action.

Wolfgang Sippl is Professor of Pharmaceutical Chemistry at the Martin-Luther-University of Halle-Wittenberg (Germany). He is interested in 3D QSAR, molecular docking and molecular dynamics, and their applications in drug design and pharmacokinetics.

Didier Rognan leads the Drug Bioinformatics Group at the Laboratory for Molecular Pharmacochemistry in Illkirch (France). He is mainly interested in all aspects (method development, applications) of protein-based drug design and virtual screening.

Gerd Folkers is Professor of Pharmaceutical Chemistry at the ETH Zurich (Switzerland). The focus of his research is the molecular interation between drugs and their binding sites.

From the Back Cover

Creating a computer model of a molecule with known or unknown structure that can then be studied by computational means is a key skill for biochemists, molecular biologists and aspiring drug developers. Increasingly sophisticated modeling software requires at least a basic understanding of the method in order to avoid misinterpretation of the data generated.
Ideal for beginners, this book explains the basics of modeling in a competent yet easily understandable way, with completely worked-out examples to guide readers to their first modeling experiments.
This third edition features a new chapter on chemogenomics, reflecting the trend towards 'chemical biology', while the example of protein modeling is completely rewritten for a better 'feel' of modeling complex biomolecules.
The authors are experienced university lecturers who regularly hold courses on molecular modeling, making this a tried-and-tested text for teachers. It is equally valuable for experts, since it is the only book to evaluate the strengths and limitations of the molecular modeling techniques and software currently available.

Edition details

• Publisher: Wiley-VCH
• Publication date: 2008
• Language: English
• ISBN 10: 3527315683
• ISBN 13: 9783527315680
• Binding: Paperback
• Edition number: 3
• Number of pages: 320