Hi
Please check amber manual. There are corresponding citations.
http://ambermd.org/doc12/Amber16.pdf
Hai Nguyen
> On Sep 4, 2016, at 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 - 15:00:02 PDT
