Figure 5.

Scoring, ranking and docking powers of ${\mathrm{\Delta }}_{\text{Lin\_F}9}\text{XGB}$, ${\mathrm{\Delta }}_{\text{Vina}}\text{XGB}$, ${\mathrm{\Delta }}_{\text{Vina}}{\text{RF}}_{20}$, Lin_F9 and Vina for different docking tests on CASF-2016 core set. (A) Pearson correlation coefficient used to measure the scoring power. (B) Spearman correlation coefficient for ranking power. (C) Docking power measured by success rate of best-scored pose (RMSD < 2 Å). Performances of ${\mathrm{\Delta }}_{\text{Lin\_F}9}\text{XGB}$, ${\mathrm{\Delta }}_{\text{Vina}}\text{XGB}$, ${\mathrm{\Delta }}_{\text{Vina}}{\text{RF}}_{20}$, Lin_F9 and Vina are colored red, purple, blue, orange and cyan, respectively. For each scoring function, performances on flexible re-docking poses (${\text{C}}_{\text{fd}}$ and ${\text{C}}_{\text{fd}}^{\text{rw}}$), E2E docking poses (${\text{C}}_{\text{E}2\text{E}}$ and ${\text{C}}_{\text{E}2\text{E}}^{\text{rw}}$), ensemble (E5) docking poses (${\text{C}}_{\text{E}5}$ and ${\text{C}}_{\text{E}5}^{\text{rw}}$), ensemble (E4) docking poses (${\text{C}}_{\text{E}4}$ and ${\text{C}}_{\text{E}4}^{\text{rw}}$) are displayed from left to right with gradually changed color.