Dear Amber users
I run an MD simulation of wild-type and mutant protein-ligand complex for
20ns in amber and performed RMSD RMSF, Hydrogen bond analysis, SASA, Radius
of Gyration, and SASA using cpptraj to access stability of the complex.
What else analysis could I do to find the impact of ligand recognition or
deleterious effect on its biological function? need your suggestions
regarding analysis.
Could you please give me any suggestions.
Regards
Sadaf
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 09 2021 - 18:00:02 PDT
