Comparison of fractions of near-native decoys and rankings of 12 P-IFPs generating most number of near-native decoys in the re-docking process.

Fractions of near-native decoys (nnDCYs) are shown in columns 2–4. After calculating each property of P-IFP, we arranged the property rankings in the descending order (columns 6–8). Top ranks in columns 6–8 represent the highest value for the indicated property, suggesting that the corresponding property is useful in obtaining most number of near-native decoys. Underlined ranks are top 10 P-IFPs.anumber of near-native decoys (#nnDCYs)bfraction of #nnDCYs in 2000 decoys generated by the initial-docking processcfraction of #nnDCYs in all decoys ( = (#cluster)×2000)) generated by the re-docking processdfraction of #nnDCYs in 2000 decoys of cluster with the most number of nnDCYs.efraction of native interactions found in a P-IFP