Thank you very much jason
Regards
Shailesh
On Mon, May 18, 2015 at 6:36 PM, Jason Swails <jason.swails.gmail.com>
wrote:
>
>
> On Sun, May 17, 2015 at 6:05 AM, Shailesh Pandey <shaileshp51.gmail.com>
> wrote:
>
>> Thank you jason for your suggestion
>>
>> If you can suggest me some useful reading books/papers ragarding
>> How to account protonation state changes in thermodynamic cycle,
>> it would be a great help
>>
>
> This is the basis behind pKa and constant pH molecular dynamics
> calculations.
>
> I worked on this problem extensively in graduate school, and my
> dissertation has an introduction to these methods as well as a list of
> sources where you can learn more:
> dx.doi.org/10.13140/2.1.4501.1844
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
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Received on Mon May 18 2015 - 09:00:05 PDT
