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Scoring functions docking programs

Fig. 12.23 Two simple scoring functions used in docking. On the left is the basic scoring scheme used by the DOCK program [Desjarlais et al. 1988], On the right is the piecewise linear potential [Cclhaar et al. 1995],... Fig. 12.23 Two simple scoring functions used in docking. On the left is the basic scoring scheme used by the DOCK program [Desjarlais et al. 1988], On the right is the piecewise linear potential [Cclhaar et al. 1995],...
A critical assessment of docking programs and scoring functions. JMed ChemA9, 5912-5931. [Pg.173]

Docking poses generated by AutoDock, GOLD, and FlexX can be easily pooled and/or rescored with SCORE (21), the three scoring functions available in the X-SCORE program (22), and/or user-defined scoring functions. This can be achieved via simple scripts that extract the relevant information from the various output files (an example of such a script is available from the authors upon request). When the results are saved in a format readable to SYBYL (i.e., tab-separated columns), the energy scores can be listed and imported into a SYBYL spreadsheet ... [Pg.85]

DOCK Automated docking program with incremental construction and random search algorithm and force field-based scoring function... [Pg.445]

SLIDE Automated docking program with multilevel and mean field algorithm and regression-based scoring function 189 www.bch.msu.edu/labs/kuhn/web/projects/slide/ home.html... [Pg.446]

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DOCK program

Docking

Docking Programs

Docking Scoring

Docks

SCORE program

Scoring function

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