Virtual Screening in Drug Discovery

Informationen zum Autor Juan Alvarez! Brian Shoichet Klappentext With millions of compounds available for screening and thousands of gene products as potential targets for therapeutic intervention! high-throughput screening (HTS) requires extensive libraries and automated screening systems to discover adequate leads for drug development. This can become expensive! and in recent years has proven minimally effective. Virtual screening uses computational tools to identify biologically active molecules against specific targets. By pre-qualifying compounds for testing! this method reduces costs and increases hit rates by eliminating the need for robotics! reagent acquisition or production! and compound storage facilities. This text explores the algorithms involved and their uses in virtual screening. Zusammenfassung Clarifying the scope and limitations of virtual screening, this book explores the algorithms involved and how to use them, offering easy access to strategies and techniques for lead discovery. It offers perspectives on ligand-based and docking-based virtual screens, framing the challenges facing the field. Inhaltsverzeichnis Perspectives on Virtual Screening. Compound and Hit Suitability for Virtual Screening. Ligand-Based Virtual Screening Approaches. Important Considerations Impacting Molecular Docking. Docking Strategies and Algorithms.

Product details

• Authors: Alvarez, Juan Alvarez, Juan Shoichet Alvarez, Alvarez Juan, Shoichet Brian
• Assisted by: Juan Alvarez (Editor), Alvarez Juan (Editor), Brian Shoichet (Editor)
• Publisher: Taylor & Francis Ltd.
• Languages: English
• Product format: Hardback
• Released: 24.03.2005
• EAN: 9780824754792
• ISBN: 978-0-8247-5479-2
• No. of pages: 496
• Series: Drug Discovery Series; Drug Discovery Series
• Subjects: Natural sciences, medicine, IT, technology > Medicine; MEDICAL / General, Pharmaceutical technology, Pharmaceutical chemistry and technology, Medical specialties, branches of medicine, Other branches of medicine, TECHNOLOGY & ENGINEERING / Pharmaceutical