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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds

Fig. 6

Comparison between the top-rank poses and the virtual screening results. For each target, the BEDROC score, which represents the performance of the virtual screening, is given with respect to the RMSD of the top-rank pose. No comparison was made with the best pose because only the top-rank pose is used for the VS ranking of the molecules. The vertical lines at 2 Å delimit the correct poses. For the sake of comparability, all the top-rank poses of FlexX that were beyond 12 Å were omitted. The Spearman correlations with the p-values in parentheses are given in the right upper corner of each panel

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