Yes. Part of the nonpolar solvation term is the hydrophobic effect. The SA
term is a very approximate treatment of nonpolar solvation.
On Sep 4, 2016 5:14 PM, "Atila Petrosian" <atila.petrosian.gmail.com> wrote:
> 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 - 17:00:03 PDT
