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Figure 5 | BMC Bioinformatics

Figure 5

From: AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

Figure 5

Enrichment graphs for ER (A) and NA (B) inhibitors after AMMOS minimization and rescoring. The y-axis is the % of retrieved actives versus the percentage of the database screened (x-axis): enrichment results after flexible docking step (blue); enrichment results after re-scoring employing AMMOS minimization: case 3 (red), all protein atoms inside a sphere around the ligand can move; case 4 (magenta), all side chain protein atoms inside a sphere around the ligand can move; case 5 (green), the whole protein is rigid.

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