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Virtual fragment-based

As the availability of crystal structures increased in the early 1990s, a number of experimental and computational methods were developed to use the structure of the protein target as a route to discover novel hit compounds. The methods include de novo design, virtual screening, and fragment-based discovery. These developments are covered in more detail in the later chapters of this book, but their main features can be summarized as follows. [Pg.284]

Keywords VS, Virtual Screening, Lead discovery, lead, HTS, Pharmacophore-Based, Structure-Based, Fragment-based, Ligand-based, Docking, Scoring, hybrid workflows, VS strategy, Benchmarking VS... [Pg.85]

ADME Absorption, distribution, metabolism, excretion FBVS Fragment-based virtual screening... [Pg.86]

Fechner, U., and Schneider, G. (2006). Flux (1) a virtual synthesis scheme for fragment-based de novo design. Journal of Chemical Information and Modeling 46, 699-707. [Pg.36]

Virtual Fragment Scanning Current Trends, Applications and Web-based Tools... [Pg.223]

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See also in sourсe #XX -- [ Pg.85 ]



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Fragment-based

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