The "Complex" field from the results database was then copied into MOE for each ligand. The ligands "Tag" was changed to that of the receptor in the System Manager, and the complex was minimised using the "Quick Prep" function, with "Structure Preparation" and "Protonate3D" options deselected. This minimised covalent complexes which could then be analysed using the S score, E_conf, binding pose and observed clash.