Figure 3.

Scoring and ranking 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 on LocalOpt pose, as well as crystal pose. (A) Pearson correlation coefficient used to measure scoring power. (B) Spearman correlation coefficient used for ranking power. 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, performance on crystal pose (C), LocalOpt pose (C_o), and local optimized pose with receptor-bound water molecules $\left({\text{C}}_{\text{o}}^{\text{rw}}\right)$ are displayed from left to right with gradually changed color.