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Visualizations of partially aligned docked poses from the PDBbind core set. The crystal pose is shown as magenta sticks and the docked pose and receptor are colored according to our visualization algorithm and the 2:1 DUD-E/CSAR model. None of these protein targets were included in training. The visualization highlights that the model assesses the part of the pose aligned to the crystal ligand as more favorable than the differing part.
