Molecular Modeling – Basic Principles and Applications
Wiley-VCH Verlag GmbH (Hersteller)
978-3-527-61477-6 (ISBN)
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Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. It is a textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!
Hans-Dieter Hoeltje is director of the Institute of Pharmaceutical Chemistry at the Heinrich-Heine-Universitat Dusseldorf, 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. Gerd Folkers is Professor of Pharmaceutical Chemistry at the ETH Zurich. The focus of his research is the molecular interaction between drugs and their binding sites. Besides his work on the molecular mechanism of "conventional" nucleoside therapeutics against virus infection and cancer, his special interest has shifted to immuno-therapeutics.
Generation of 3 D coordinates Computational tools for geometry optimizations Conformational analysis Determination of molecular interaction potentials Pharmacophore identification The use of data bases Introduction to protein modeling Knowledge-based protein modeling Optimization procedures - model refinement - molecular dynamics
| Erscheint lt. Verlag | 4.3.2008 |
|---|---|
| Verlagsort | Weinheim |
| Sprache | englisch |
| Maße | 140 x 240 mm |
| Gewicht | 560 g |
| Themenwelt | Naturwissenschaften ► Chemie |
| ISBN-10 | 3-527-61477-X / 352761477X |
| ISBN-13 | 978-3-527-61477-6 / 9783527614776 |
| Zustand | Neuware |
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