Figure 6
From: Optimised amino acid specific weighting factors for unbound protein docking
Improvement of prediction quality (testcases from literature). The light yellow bars show the percentage of complexes for which a near-native solution (RMSiCα<5Å) is found without the optimised weighting factors. The brown bars show the results after the application of the weighting factors. (A) for enzyme-inhibitor (100%: 17 complexes) (C) for antibody-antigen (100%: 4 complexes) and (D) for other complexes (100%: 4 complexes), (B) shows the percentage of near-native structures found within the top ranks for enzyme-inhibitor complexes (100%: 1956 structures); Also for the complexes which were not part of the optimisation procedure a clear enrichment of near-native structures on the lower ranks can be seen.