VMD-L Mailing List
From: jrhau lung (jrhaulung_at_gmail.com)
Date: Sun Feb 12 2017 - 19:14:28 CST
Dear VMD-I friends:
If I would like to simulate the binding affinity of an inhibitor with a
mutant protein structure, do I need to rebuild the mutant protein
structure and dock the ligand first, or just change the residue "in the e
Select Residue window. Select Mutate in the Table Mode" in QwikMD?
Especially if the mutation comes with short amino acid insertion or
deletion in protein structure? Thanks.