[gmx-users] Fwd: Simulation of protein with phosphate ion...

[bharat gupta]

thanks ...

On Mon, May 30, 2011 at 5:03 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> bharat gupta wrote:
>
>> Well, mine is a beta-barrel protein called Green Fluorescent Protein. In
>> such a case the movement of ion is very important. As the ion in side the
>> barrel can quench the fluorescence. That's what I want to track..
>>
>
> You can probably address this with the methods I've described.  That's
> likely all that anyone can offer.  Spend some time looking through the
> literature at the many kinds of systems that have been addressed using SMD
> and/or umbrella sampling and come up with a coherent plan to address your
> system based on what you find.
>
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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-- 
Bharat
Ph.D. Candidate
Room No. : 7202A, 2nd Floor
Biomolecular Engineering Laboratory
Division of Chemical Engineering and Polymer Science
Pusan National University
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South Korea
Lab phone no. - +82-51-510-3680, +82-51-583-8343
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