Dear Amber developer
I have to compare the binding free energies of different small molecule
ligands with a protein. According to some of the research article GBSA
method is good in ranking the free energies of ligands than PBSA. So which
method is actually more reliable for comparing the binding free energies of
ligands.
If difference of binding free energies of two ligands is 5-6 kca/mole. Are
these methods able discriminate the such energy difference?
Thanks
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Received on Tue Oct 24 2017 - 07:00:03 PDT
