Hierarchical clustering of iGEMDOCK for post screening analysis using ERA as the example. (A) Hierarchical clustering of the interaction profile for the active compounds and top-ranked compounds selected by the pharmacological and energy-based scoring functions. (B) The interaction profiles of the compounds belonging to the active compound cluster (blue block) and the compounds in the lowest energy cluster (orange block). The red boxes present the pharmacological interactions. (C) The ranks of some typical compounds in the previous two clusters.