4.2 Simple docking - Valdes-Tresanco-MS/AMDock-win GitHub Wiki

This procedure is focused on predicting the protein-ligand complex structure using different methods to define the search space. We chose 4 study cases and each of the methods aims to define the search space in AMDock (i.e. “Custom Box”, “Box centered on Hetero”, “Box centered on Residue(s)”, and “Automatic Mode”.) will be used accordingly to predict the complex structure.