On Mon, Sep 26, 2011, Jorge Iulek wrote:
>
> 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?
It is indeed sensible, and often done.
...dac
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Received on Mon Sep 26 2011 - 19:30:05 PDT
