Virtual Screening: Principles, Challenges, and Practical Guidelines

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.

Keywords: Christoph Sotriffer, Raimund Mannhold, Hugo Kubinyi, Gerd Folkers, virtual screening, preselecting drug candidates