[gmx-users] Interaction study for peptide-receptor..
ramadavidgroup at gmail.com
Thu Oct 4 08:01:23 CEST 2012
Hi gromacs Friends,
I want to do peptide-receptor ( Protein) interaction
study.Receptor consist a single chain.
Peptide is made up of 4 amino acids. I know the interaction pattern of
peptide and receptor.
I plan to mutate single residue each at a time and run 4 simulation .
So I will have the 4 different simulation that contain the mutated residues
and the wild one.
Then afterward from the interaction energy I want to select the peptide
which is showing
stronger interaction than others.
As mention I know the binding site, If I freeze the remaining portion in
that not involved in binding , Is it going to affect my screening process
Or there is any other way to do these process???
thank you in Advance
With Best wishes and regards,
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