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ISBN: 9780841224926 - Library Design, Search Methods, and Applications of Fragment-based Drug Design
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Library Design, Search Methods, and Applications of Fragment-based Drug Design

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Bienstock, Rachelle J. (EDT)
Rachelle Bienstock

ISBN: 9780841224926
Format: Hardback
Publisher: Oxford University Press Inc


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Discusses computational methods for fragment library design, computational docking ranking and screening of fragments and computational methods for linking and growing fragments to yield lead compounds.

 

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Fragment based ligand design is a promising technique for identifying novel lead compounds for drug discovery. Fragment based discovery involves identifying small low molecular weight compounds with low affinity to the target to use as the foundation for growing and linking to create high affinity lead compounds with high selectivity. Fragment based discovery has facilitated the incorporation of greater chemical diversity in libraries for more efficient novel lead identification This book discusses computational methods for fragment library design, computational docking ranking and screening of fragments and computational methods for linking and growing fragments to yield lead compounds.