Hi everybody,
I'm trying to work out the binding energy of a ligand/receptor complex as well as the actual contacts (hbonds) that the ligand makes with residues at the binding site. The ligand is around 15-25 atoms and the protein has 125 residues.
Does anyone have a MD protocol for this type of work?
Your help would be greatly appreciated
George
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Apr 20 2010 - 07:30:04 PDT
