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.
| ISBN: | 9781493935192 |
| Publication date: | 7th June 2016 |
| Author: | Wei Zhang |
| Publisher: | Humana Press an imprint of Springer New York |
| Format: | Hardback |
| Pagination: | 305 pages |
| Series: | Methods in Pharmacology and Toxicology |
| Genres: |
Pharmacology |
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.
Computer-Aided Drug Discovery features in the following genres: Pharmacology
Computer-Aided Drug Discovery is available in Hardback
Computer-Aided Drug Discovery was written by Wei Zhang and published by Humana Press an imprint of Springer New York
Computer-Aided Drug Discovery has 305 pages
Yes it is part of Methods in Pharmacology and Toxicology series