Hi! I would like some help.
I am trying to get the binding affinity between the CDRs of an antibody and the WHISCY active residues of an antigen. I used a ClusPro docked model as the input. I believe I submitted the job a few days ago, but it still seems to be running- which, I am guessing, something was wrong with the way I entered the information.
The docked structure from Cluspro had named the antibody as rec.pdb and the antigen as lig.000.00.pdb. Both the structures were present in a single file. Both the structures are labelled as chain A. I know the specific residue numbers for the CDRs and the active residues,
Is there a way I can obtain the dG for those specific residues?
I would really appreciate an help and or tips.
Thank you