Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Scoring functions virtual screening

Key Words Scoring functions virtual ligand screening computational dmg discovery. [Pg.439]

The calculation of the binding affinity with con.sidcration of all tbc.se effects for virtual screening is not possible. In order to circumvent thus difficulty, scoring functions arc used instead, c.g., the Liidi scoring function [80, or consensus scoring functions derived from FlevX score, DOCK score, GOLD score, ChemScore, or PMF score [81 ]. [Pg.611]

Stahl M, Rarey M. Detailed analysis of scoring functions for virtual screening. J Med Chem 2001 44 1035-42. [Pg.416]

H. J. BOhm and M. Stahl, Rapid empirical scoring functions in virtual screening... [Pg.191]

Practically all virtual screening procedures rely at least in part on some numerical optimization, be it an optimization of overlap (as in many alignment programs) [81-90], the generation of energetically favorable conformations of a molecule (for example CONCORD ]91] and CORINA [92]), or the relaxation of a compound in complex with the protein (for example [93-97]). The particular virtual screening problem as a whole may be solved this way. Once a decent scoring function is defined, numerical methods... [Pg.70]


See other pages where Scoring functions virtual screening is mentioned: [Pg.160]    [Pg.281]    [Pg.286]    [Pg.290]    [Pg.296]    [Pg.300]    [Pg.304]    [Pg.306]    [Pg.308]    [Pg.312]    [Pg.314]    [Pg.316]    [Pg.320]    [Pg.322]    [Pg.324]    [Pg.326]    [Pg.328]    [Pg.330]    [Pg.160]    [Pg.281]    [Pg.286]    [Pg.290]    [Pg.296]    [Pg.300]    [Pg.304]    [Pg.306]    [Pg.308]    [Pg.312]    [Pg.314]    [Pg.316]    [Pg.320]    [Pg.322]    [Pg.324]    [Pg.326]    [Pg.328]    [Pg.330]    [Pg.85]    [Pg.358]    [Pg.384]    [Pg.387]    [Pg.391]    [Pg.400]    [Pg.401]    [Pg.402]    [Pg.413]    [Pg.423]    [Pg.36]    [Pg.43]    [Pg.44]    [Pg.44]    [Pg.45]    [Pg.47]    [Pg.49]    [Pg.50]    [Pg.103]    [Pg.424]    [Pg.417]    [Pg.56]    [Pg.184]    [Pg.72]    [Pg.60]    [Pg.63]    [Pg.67]    [Pg.91]   
See also in sourсe #XX -- [ Pg.444 , Pg.445 ]




SEARCH



Function screening

Functional screening

Scoring function

Screen virtual

Screening virtual

© 2024 chempedia.info