DARC 2.0: Improved Docking and Virtual Screening at Protein Interaction Sites
Fig 7
Summary of the collective effect of enhancements to DARC described here.
For each protein-ligand complex in our set (S1 Table), we used DARC to dock the ligand back into its cognate receptor. Here we compare performance of DARC before the enhancements described in this work (“DARC 1.0”), to its current performance (“DARC 2.0”). Each point represents a separate complex; points above the diagonal are those for which the use of multiple origins led to better pose recapitulation. Previously, only one ligand (of 25) was docked to within 2 Å RMSD of its position in the crystal structure; in contrast, “DARC 2.0” now achieves this level of accuracy in 12 cases.