Dear Carlos,
Thanks for your answer.
SA part of MM-GBSA is related to non-polar solvation term. Am I right?
Since I am beginner in this regard, please introduce me paper or useful
texts about this issue.
Best,
Atila
On Mon, Sep 5, 2016 at 1:32 AM, Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> Yes, this is already included in the "SA" (surface area) part of MM-GBSA.
>
> On Sep 4, 2016 4:37 PM, "Atila Petrosian" <atila.petrosian.gmail.com>
> wrote:
>
> > Dear amber users,
> >
> > I want to use MM-GBSA methods for binding of some inhibitors to an
> enzyme.
> >
> > Is it possible to consider and calculate hydrophobic interactions in this
> > method?
> >
> > Any help will highly be appreciated.
> >
> > Best,
> > Atila
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Received on Sun Sep 04 2016 - 14:30:03 PDT
