Applications and Success Stories in Virtual Screening

This chapter summarizes selected prospective virtual screening applications from the medicinal chemistry literature of the last decade. It does not attempt to provide 

Copyright 2011 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim ISBN 978-3-527-32636-5 

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Virtual screening is not a replacement for experimental HTS and is perhaps best viewed as an aid to HTS. Using virtual screening as a prefilter can allow one to select subsets of compounds (focused library) from a larger library and reduces the cost and time required for subsequent experimental screening. Several success stories of virtual screening applications (73) demonstrate the utility of these computational methods for drug discovery, both in academia and industry. 

The following table provides a brief compilation of virtual screening application studies mentioned in the chapters of this book. Additional case studies not mentioned in the book are taken from the following review and are denoted with ( ) H. Kubinyi, Success Stories of Computer-Aided Design, in Computer Applications in Pharmaceutical Research and Development, edited by Sean Ekins, John Wiley Sons, Inc., 2006. 

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