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For some, the best pose is an uncomprehending defiance.
Left the ligand is in its best pose (RMSD = 0.32 Å), in the crystallographic binding pocket.
In each panel, for each target is reported the RMSD of the best pose obtained by a program with respect to the RMSD of the best pose obtained with another program.
When rescoring the poses of the pool with PLP, the best pose was top-ranked by this scoring function.
For each target, the rank of the best pose is reported with respect to its RMSD from the crystal structure.
Therefore, considering the small number of protein ligand interactions, it is not surprising that the best pose was not top-ranked.
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