Figure 7
From: Sampling the conformation of protein surface residues for flexible protein docking
Quantify loss of quality at each step in generating docking candidates. All-atom RMSD between the best picks in the exhaustive ensemble (green dots), the SCMF-filtered ensemble (black boxes), the final ensemble after k-means clustering (cyan triangle), and the bound conformation of the corresponding patch. To improve clarity, the test cases are arranged along the x-axis in order of increasing RMSD between the best pick in the final ensemble and the bound conformation. For comparison purposes, the bound conformation has been added to both the exhaustive ensemble and to the SCMF-filtered ensemble, rather than only after clustering.