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Main Title Molecular modeling : basic principles and applications /
Other Authors
Author Title of a Work
Hèoltje, Hans-Dieter.
Publisher Wiley-VCH,
Year Published 2008
OCLC Number 191889943
ISBN 9783527315680; 3527315683
Subjects Biomolecules--Structure--Computer simulation ; Proteins--Structure--Computer simulation ; Molecules--Models--Computer simulation ; Drugs--Design--Computer simulation ; Ligand binding (Biochemistry)--Computer simulation ; Molekulardesign--(DE-588)4265444-0 ; Molekylstruktur--datorsimulering ; Proteinbindning
Internet Access
Description Access URL
Table of contents
Table of contents
Table of contents
Library Call Number Additional Info Location Last
ELBM  QP517.M3H54 2008 AWBERC Library/Cincinnati,OH 01/05/2015
Edition 3rd rev. and expanded ed.
Collation x, 310 p. : ill. (some col.) ; 24 cm.
Previous ed.: Weinheim: VCH, 2003. Includes bibliographical references and index.
Contents Notes
Introduction -- Small molecules -- A case study for small molecule modeling: dopamine Db3s, receptor antagonists -- Introduction to comparative protein modeling -- Virtual screening and docking -- Scope and limits of molecular docking -- Chemogenomic approaches to rational drug design -- A case study for protein modeling: the nuclear hormone receptor CAR as an example for comparative modeling and the analysis of protein-ligand complexes. "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."--Jacket.