Hi,
I have 2 proteins which are known to bind each other and have
crystal structure in RCSB PDB. I want to make the affinity better by making
point mutations in a loop of 8 residues in one of the proteins. Therefore I
made 160 point mutations and ran MD simulations using AMBER. Each construct
has only one mutation compared to the wild type.I want to evaluate change
in affinity due to this mutation. What methodology should I use. I don't
want to use MMGBSA/MMPBSA for this evaluation as it did not work well for
this case.
Regards
Abhilash
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Received on Tue Aug 06 2024 - 12:30:01 PDT
