Dear all,
I wonder whether it might be sensible to calculate a delta(deltaG)
of a protein mutated (compared to the native one) to bind to a certain
ligand through thermodynamic integration. The set up I imagine closest
is the one at tutorial A9, but with receptor and ligand roles inverted.
Is this sensible? Might there be a better setup? References are welcome.
Thanks,
Jorge
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Received on Mon Sep 26 2011 - 18:00:03 PDT
