Overview
- Editors:
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Hugo Kubinyi
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ZHF/G, A30, BASF AG, Ludwigshafen, Germany
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Gerd Folkers
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Department Pharmazie, ETH-Zürich, Zürich, Switzerland
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Yvonne C. Martin
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Abbott Laboratories, Pharmaceutical Products Division, Abbott Park, USA
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Table of contents (20 chapters)
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Ligand-Protein Interactions
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- Rebecca C. Wade, Angel R. Qrtiz, Federico Gago
Pages 19-34
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- Tudor I. Oprea, Garland R. Marshall
Pages 35-61
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- M. Rami Reddy, Velarkad N. Viswanadhan, M. D. Erion
Pages 85-98
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- Ronald M. A. Knegtel, Peter D. J. Grootenhuis
Pages 99-114
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- Irene T. Weber, Robert W. Harrison
Pages 115-127
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Quantum Chemical Models and Molecular Dynamics Simulations
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- Bernd Beck, Timothy Clark
Pages 131-159
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- Paolo Carloni, Frank Alber
Pages 169-179
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Pharmacophore Modelling and Molecular Similarity
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- Robert D. Clark, Allan M. Ferguson, Richard D. Cramer
Pages 213-224
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- Arup K. Ghose, John J. Wendoloski
Pages 253-271
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- Soheila Anzali, Johann Gasteiger, Ulrike Holzgrabe, Jaroslaw Polanski, Jens Sadowski, Andreas Teckentrupb Markus Wagener
Pages 273-299
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- David A. Thorner, David J. Wild, Peter Willett, P. Matthew Wright
Pages 301-320
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- Andrew C. Good, W.Graham Richards
Pages 321-338
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- Robert S. Pearlman, K. M. Smith
Pages 339-353
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- Roberto Todeschini, Paola Gramatica
Pages 355-380
About this book
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series. 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.
Reviews
`... Volume 3 is a valuable resource text for scientists with a background or serious interest in 3D QSAR who are interested in CoMFA and related methodology. overall this 3 book series is a wonderful reference source for scientists interested 3D QSAR.'
SIM News, 49:4 (1999)
Editors and Affiliations
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ZHF/G, A30, BASF AG, Ludwigshafen, Germany
Hugo Kubinyi
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Department Pharmazie, ETH-Zürich, Zürich, Switzerland
Gerd Folkers
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Abbott Laboratories, Pharmaceutical Products Division, Abbott Park, USA
Yvonne C. Martin