[gmx-users] Fwd: Simulation of protein with phosphate ion...
francesco.oteri at gmail.com
Tue May 31 10:33:22 CEST 2011
you can try Phosfinder (http://phosfinder.bio.uniroma2.it). It is a
website that predict phosphate binding site on protein stucture.
The paper url is:http://www.ncbi.nlm.nih.gov/pubmed/21622655
Il 31/05/2011 02:06, bharat gupta ha scritto:
> thanks ...
> On Mon, May 30, 2011 at 5:03 PM, Justin A. Lemkul <jalemkul at vt.edu
> <mailto: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
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