Molecular Modeling - Basic Principles and Applications, 3rd Ed.pdf

Molecular Modeling
by Hans-Dieter Holtje and Gerd Folkers
This publication has been generously supported by Tripos GmbH, Munich.
Methods and Principles
in Medicinal Chemistry
Edited by
R. Mannhold
H. Kubinyi
H. Timmerman
Editorial Board
F. Darvas, T. Fujita, C. R. Ganellin,
F. Gualtieri, U. Hacksell, H.-D. Holtje,
G. Leclerc, R. Rekker, J.-K. Seydel,
D. Triggle, H. van de Waterbeemd
Molecular Modeling
Basic Principles and Applications
by Hans-Dieter Holtje and Gerd Folkers
in collaboration with Thomas Beier,
Wolfgang Sippl and Didier Rognan
Weinheim - New York - Base1 - Cambridge - Tokyo
Series Editors:
Prof. Dr. Raimund Mannhold Prof. Dr. Hugo Kubinyi Prof. Dr. Hendrik Emmerman
Biomedical Research Center ZHV/W. A 30 Faculty of Chemistry
Molecular Drug Research Group BASF AG Dept. of Pharmacochemistry
Heinrich-Heine-Universitat D-67056 Ludwigshafen Free University of Amsterdam
Universitatsstralle 1 Germany De Boelelaan 1083
D-40225 Dusseldorf NL-1081 HV Amsterdam
Germany herlands
Authors: Prof. Dr. G. Folkers
Prof. Dr. H.-D. Holtje Department of Pharmacy
Institute of Pharmaceutical ETH Zurich
Chemistry Winterthurer Str. 190
Heinrich-Heine-Universitat CH-8057 Zurich
Universitatsstralle 1 Switzerland
D-40225 Dusseldorf
Germany
This book was carefully produced. Nevertheless. authors. editors and publisher do not warrant the information
contained therein to be free of errors. Readers are advised to keep in mind that statements, data. illustrations.
procedural details or other items may inadvertently be urate.
The financial support of Tripos CrnbH, Munich, is gratefully acknowledged.
Published jointly by
VCH Verlagsgesellschaft mbH, Weinheim (Federal Republic of Germany)
VCH Publishers, Inc., New York NY (USA)
Editorial Director: Dr. Michael Bar
Library of Congress Card No. applied for.
British Library Cataloguing-in-Publication Data: A catalogue record for this book is available