Reply To: comparison of energy

[Anonymous]

Therefore, presumably to do the same kind of thing in Rosetta3 –
I would, say, run a docking or refinement on a set of these mutations (or adapt the alanine scan tutorial) and modify some of the “-ddG” and “-scoring” options? If I wanted to maximise said correlation between ddG predictions, rather than the accuracy of the reported pose, which set of scoring weights should I use?