Virtual Screening: Principles, Challenges, and Practical Guidelines

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A comprehensive and up-to-date overview, this is both a desktop reference and practical guide for virtual screening applications in drug discovery. Clearly divided into three major sections, the first on principles provides a detailed description of the methods required for and applied in virtual screening, while the second discusses the most important challenges in order to improve the impact and success of virtual screening. Finally, the third, practical part contains several case studies covering the most important scenarios for new drug discovery, accompanied by general guidelines for the entire workflow of virtual screening studies.Throughout, medicinal chemists from academia, as well as from large and small pharmaceutical companies report on their experience and pass on priceless practical advice on how to make best use of these powerful methods. Unique in its focus on the end user, this is a real "how to" book that does not presuppose prior experience in virtual screening or a background in computational chemistry.

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Christoph Sotriffer is Professor for Pharmaceutical Chemistry at the University of Wurzburg (Germany). After studying Chemistry at the Universities of Innsbruck (Austria) and Padova (Italy), he obtained his PhD at the University of Innsbruck in 1999. After conducting postdoctoral research at the University of California, San Diego (USA), in the group of Prof. McCammon and at the University of Marburg (Germany), in the group of Prof. Klebe, he obtained his habilitation and moved to the University of Wurzburg in 2006, where he has started to build a new research group for computational medicinal chemistry. He has been co-organizer of the biannual International Workshop on New Approaches in Drug Discovery and Design in Rauischholzhausen (Germany) since 2003. His research has been awarded prizes by the Austrian Chemical Society (Anton-Paar-Wissenschaftspreis) in 2005, and the German Chemical and Pharmaceutical Societies (Innovationspreis in Medizinisch/Pharmazeutischer Chemie) in 2007.