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Ligand Pose and Orientational Sampling in Molecular Docking

Figure 4

Enrichment changes with varying degrees of orientational sampling.

A) The histogram of changes between match goals of 50 and 20000 over all 102 DUD-E systems is shown. B) At right, the histogram of which of the five match goal levels produced the best enrichment for each of the 102 DUD-E targets. For each enrichment produced by another match gal, the histogram of the differences is shown to the left.

Figure 4

doi: https://doi.org/10.1371/journal.pone.0075992.g004