Hi everyone, 

I am a PhD student who is using Discovery Studio 2020 for molecular dockings. My plan was to use binding energies for ranking the poses, although I am not sure the values I got are valid or they are the result of some mistakes or missing steps. The numbers I've got always in the range of 100-500 kcal/mol. 

The steps I did throughout the dockings: preparing the ligands and the protein (except re-building the loops, my protein required an alpha and beta subunit within a chain), using libdock for docking applying the recommended settings (plus adding flexible side chains), in situ ligand minimisation, and calculating binding energies at the end. 

Thanks a lot for any help or suggestions.