Overview of iGEMDOCK using estrogen receptor α as the example. (A) Main steps. (B) The protein-ligand docking/screening interface. This interface provides an easy way for the preparations of binding site and screening compounds, the customization of docking parameters, and monitoring the docking progress. (C) The binding site preparation interface in the docking/screening stage. iGEMDOCK allows users to directly set the binding site and visualize the structure. (D) The post-screening analysis interface displays the protein-ligand complex structures, clusters, and ranks of screening compounds. (E) The hierarchical tree presents the compound similarities using compound structures or protein-compound interactions.