[gmx-users] Fwd: Simulation of protein with phosphate ion...
bharat.85.monu at gmail.com
Tue May 31 02:06:40 CEST 2011
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 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
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