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A Practical Guide to Rational Drug Design

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Release : 2015-10-05
Genre : Medical
Kind : eBook
Book Rating : 053/5 ( reviews)

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Book Synopsis A Practical Guide to Rational Drug Design by : Sun Hongmao

Download or read book A Practical Guide to Rational Drug Design written by Sun Hongmao. This book was released on 2015-10-05. Available in PDF, EPUB and Kindle. Book excerpt: 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. Discusses various tactics applicable to daily drug design Readers can download the materials used in the book, including structures, scripts, raw data, protocols, and codes, making this book suitable resource for short courses or workshops Offers a unique viewpoint on drug discovery research due to the author’s cross-discipline education background Explores the author’s rich experiences in both pharmaceutical and academic settings

Rational Drug Design

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Release : 2018-07-24
Genre : Medical
Kind : eBook
Book Rating : 293/5 ( reviews)

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Book Synopsis Rational Drug Design by : Thomas Mavromoustakos

Download or read book Rational Drug Design written by Thomas Mavromoustakos. This book was released on 2018-07-24. Available in PDF, EPUB and Kindle. Book excerpt: This volume covers several aspects of rational drug design, such as synthesis of novel bioactive drugs; development and application of new methodologies; computational methods valuable for the establishment of new approaches in drug discovery; and the effects of physical-chemical and ADMET properties of the designed potential drugs. Chapters guide readers through amyloid deposits, Saturation Transfer Difference (STD) NMR, methods on bioguided design, the importance of lipophilicity in drug design, ADMET, FRET, structural biology, and homology modeling. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Rational Drug Design: Methods and Protocols aims to ensure successful results in the further study of this vital field.

Chemical and Structural Approaches to Rational Drug Design

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Release : 1994-11-28
Genre : Medical
Kind : eBook
Book Rating : 188/5 ( reviews)

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Book Synopsis Chemical and Structural Approaches to Rational Drug Design by : David B. Weiner

Download or read book Chemical and Structural Approaches to Rational Drug Design written by David B. Weiner. This book was released on 1994-11-28. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first to provide both a broad overview of the current methodologies being applied to drug design and in-depth analyses of progress in specific fields. It details state-of-the-art approaches to pharmaceutical development currently used by some of the world's foremost laboratories. The book features contributors from a variety of fields, new techniques, previously unpublished data, and extensive reference lists.

Rational Drug Design

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Author :
Release : 1999
Genre : Mathematics
Kind : eBook
Book Rating : /5 ( reviews)

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Book Synopsis Rational Drug Design by : Abby L. Parrill

Download or read book Rational Drug Design written by Abby L. Parrill. This book was released on 1999. Available in PDF, EPUB and Kindle. Book excerpt: This book is an overview of current progress in drug design. It focuses on energetics of drug interactions with solvents and biomolecules, applications of traditional drug design methods, and related evolutionary algorithms.

Guidebook on Molecular Modeling in Drug Design

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Release : 1996-04-26
Genre : Computers
Kind : eBook
Book Rating : 450/5 ( reviews)

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Book Synopsis Guidebook on Molecular Modeling in Drug Design by : N. Claude Cohen

Download or read book Guidebook on Molecular Modeling in Drug Design written by N. Claude Cohen. This book was released on 1996-04-26. Available in PDF, EPUB and Kindle. Book excerpt: The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary of terminology. (J. P. Tollenaere).

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