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- DescriptionThis 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, Computer-Aided Drug Discovery 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 techlogy.
- PublisherHumana Press Inc.
- Date of Publication07/06/2016
- SubjectClinical Medicine: Professional
- Series TitleMethods in Pharmacology and Toxicology
- Place of PublicationTotowa, NJ
- Country of PublicationUnited States
- ImprintHumana Press Inc.
- Content Note12 black & white illustrations, 47 colour illustrations, 13 black & white tables, biography
- Weight797 g
- Width178 mm
- Height254 mm
- Spine19 mm
- Edited byWei Zhang
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