Application of Structure-based Alignment Methods for 3D QSAR Analyses

Application of Structure-based Alignment Methods for 3D QSAR Analyses 

Pharmacophores and Pharmacophore Searches. Edited by T. Langer and R. D. Hoffmann Copyright 2006 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim ISBN 3-527-31250-1 

This chapter focuses on computational studies which employ a combination of structure-based and 3D QSAR methods as a mean to predict the affinity of a ligand for its receptor. The comprehensive utility of this approach is exemplified by case studies published in the last few years and from our laboratory. Special emphasis will be placed on a detailed description of the combined structure-ligand-based approach and the successful application of this procedure to the design of novel drug molecules. 

The number of 3D QSAR studies has increased exponentially over the last decade, since a variety of methods are commercially available in user-friendly, gra- 

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I 7 7 Application of Structure-based Alignment Methods for 3D QSAR Analyse ... 

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