Molecular Modeling : Basic Principles and Applications

Hans-Dieter Höltje

ISBN 10: 3527315683 / ISBN 13: 9783527315680

Published by Wiley-VCH, 2008

About this Item

Neuware - 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.; Umfassend und präzise, besonders für Anfänger gut verständlich: Dieser Band erklärt die Grundlagen der Molekülmodellierung kompetent und nachvollziehbar. Ausführlichen Informationen zur Modellierung von kleinen Molekülen und Proteinen folgen durchgearbeitete Beispiele, die dem Leser den Weg zum ersten eigenen Experiment ebnen. Neu in dieser dritten Auflage ist ein Kapitel zur Chemogenomik, das (gemeinsam mit dem überarbeiteten und erweiterten Beispiel zur Behandlung komplizierterer Biomoleküle) den gegenwärtigen Trend zur 'chemischen Biologie' widerspiegelt.Die Autoren, erfahrene Dozenten in diesem Themenbereich, garantieren die Praxistauglichkeit des Bandes als Begleiter einschlägiger Vorlesungen. Für Fachleute interessant: Als einziges gegenwärtig erhältliches Werk enthält das Buch einen systematischen Vergleich der Möglichkeiten und Grenzen moderner MM-Verfahren und entsprechender Software-Pakete.

Seller Inventory # 9783527315680

Bibliographic Details

• Title: Molecular Modeling : Basic Principles and Applications
• Publisher: Wiley-VCH
• Publication Date: 2008
• Language: English
• ISBN 10: 3527315683
• ISBN 13: 9783527315680
• Binding: Taschenbuch
• Edition: 3rd Edition
• Condition: Neu
• Dimensions: 242W x 172H x 17D millimeters 242 millimeters width by 172 millimeters height by 17 millimeters depth
• Weight: 610 grams

About this title

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 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.