A practical guide to rational drug design [electronic resource] / Sun Hongmao.
- 作者： Sun, Hongmao.
- 其他題名：
- Woodhead Publishing series in biomedicine ;
- Woodhead Publishing series in biomedicine ;
- 出版： Amsterdam : Woodhead Publishing c2015.
- 叢書名： Woodhead Publishing series in biomedicine ;number 81
- 主題： Drugs--Design. , Electronic books
- ISBN： 9780081001059 (electronic bk.) 、 0081001053 (electronic bk.) 、 9780081000984 (electronic bk.)
- URL：
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- 書目註：Includes bibliographical references and index.
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讀者標籤：
- 系統號： 005235631 | 機讀編目格式
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摘要註
This book is not going to be an exhaustive survey covering all aspects of rational drug design. Instead, it is going to provide critical know-how through real-world examples. Relevant case studies will be presented and analyzed to illustrate the following: how to optimize a lead compound whether one has high or low levels of structural information; how to derive hits from competitors' active compounds or from natural ligands of the targets; how to springboard from competitors' SAR knowledge in lead optimization; how to design a ligand to interfere with protein-protein interactions by correctly examining the PPI interface; how to circumvent IP blockage using data mining; how to construct and fully utilize a knowledge-based molecular descriptor system; how to build a reliable QSAR model by focusing on data quality and proper selection of molecular descriptors and statistical approaches. A Practical Guide to Rational Drug Design focuses on computational drug design, with only basic coverage of biology and chemistry issues, such as assay design, target validation and synthetic routes.