Protein docking by Rotation-Based Uniform Sampling (RotBUS) with fast computing of intermolecular contact distance and residue desolvation.

In these cases, desolvation seems to be determinant (indeed, in all of these cases, except the ligand of 1n2c, the interacting molecules had highly significant ODA values [ 24 ]), and thus our residue-based desolvation is helping to identify the near native solutions even if they do not have optimal geometrical complementarity or are too large for FTDock sampling.

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