Molecular Modeling: Basic Principles and Applications - Softcover

Über die Autorin bzw. den Autor

Hans-Dieter Höltje is director of the Institute of Pharmaceutical Chemistry at the Heinrich-Heine-Universität Düsseldorf (Germany) where he also holds the chair of Medicinal Chemistry.
His main interest is the molecular mechanism of drug action. He is especially interested in modeling G-Protein-coupled receptors, cytochromes, enzymes of therapeutic importance and phospholipid membranes.
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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.
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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.
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Gerd Folkers is Professor of Pharmaceutical Chemistry at the ETH Zürich (Switzerland).
The focus of his research is the molecular interation between drugs and their binding sites. Besides his work on the molecular mechanism of "conventional" nucleoside therapeutics against virus infections and cancer, is special interest has shifted to immuno-therapeutics.

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Written by experienced experts in molecular modeling, this book describes the basics to the extent that is necessary to reliably judge the results from molecular modeling calculations.
Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. The beginner is guided through the first modeling experiment, and the routine user of modeling software provided with invaluable troubleshooting hints. A unique resource for students, researchers and lecturers, now available in all-new and enlarged edition.

If currently popular Dummies series of computer books were to publish a volume on molecular modeling this would be it (Journal of the American Chemical Society)

This book is well written and assumes no prior knowledge of molecular biology, statistical mechanics, or quantum chemistry. The authors provide practical hints for the application of the majority of available programs in computational chemistry (Computers in Physics)