VMD-L Mailing List
From: jrhau lung (jrhaulung_at_gmail.com)
Date: Sun Feb 12 2017 - 19:14:28 CST
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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.
sincerely yours,
Jrhau
- Next message: Vermaas, Joshua: "Re: Interacting H-bond between two dimer"
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- Next in thread: João Ribeiro KS: "Re: Binding affinity simulation of a mutation structure."
- Reply: João Ribeiro KS: "Re: Binding affinity simulation of a mutation structure."
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