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Computer-Aided Drug Discovery
Hardcover
Series: Methods in Pharmacology and Toxicology
ISBN13: 9781493935192
Publisher: Springer Nature
Published: Jun 7 2016
Pages: 305
Weight: 1.70
Height: 0.75 Width: 7.00 Depth: 10.00
Language: English
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.
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