Computer-Aided Drug Discovery

Computer-Aided Drug Discovery
Computer-Aided Drug Discovery
Humana Press | Pharmacology & Toxicology | July 8, 2016 | ISBN-10: 1493935194 | 290 pages | pdf | 7.74 mb

Editors: Zhang, Wei (Ed.)
Features practical, hands-on instruction for the use of CADD systems
Includes tips from experts in the field to ensure successful implementation
Focuses on the vital early stages of the drug discovery process

This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested.

Practical and thorough, serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab's goals with this exciting and versatile technology.

Number of Illustrations and Tables
12 b/w illustrations, 47 illustrations in colour
Pharmacology / Toxicology


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