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Are there only villin trajectories at simtk.org?

Posted: Sat Mar 17, 2012 4:24 am
by Nantes
Theoretically the FAH data is shared with the world in the form of trajectories made available through the website www.simtk.org. However I have only managed to find the trajectories of a Villin variant: https://simtk.org/home/foldvillin

Certainly Stanford has obtained data on many other kinds of proteins than villin, so why aren't they sharing them too? I need to know this for a college presentation on FAH I'll be doing in 3 days.

Thanks folks.

Re: Are there only villin trajectories at simtk.org?

Posted: Sat Mar 17, 2012 4:38 am
by 7im
Yes, certainly they have.

I don't know about simtk's policies, but from similar questions posed in the past on this forum, the data is shared upon request, partly due to the size of the data. Certainly there are more reasons than just that. Sorry, but on such short notice, you may not get a direct answer from the project in time for your presentation.

Re: Are there only villin trajectories at simtk.org?

Posted: Sat Mar 17, 2012 5:18 am
by Jesse_V
As 7im already said, they do share F@h data with others upon request. Since villin broke records in terms of its simulation timescale, I guess it's popular enough for them to put it up for download. The Pande lab also shares F@h technology with others.
Any further questions about F@h? I for one would be happy to help. There is a lot of information on folding.stanford.edu, but one place that you might consider reading is the Wikipedia article on Folding@home. The specifics on some of the researched diseases are a bit of a work in progress at this point, but everything else should be very informative and useful IMO. Good luck.

Re: Are there only villin trajectories at simtk.org?

Posted: Sat Mar 17, 2012 4:01 pm
by Nantes
Jesse_V wrote:As 7im already said, they do share F@h data with others upon request.
Say a biochemistry researcher in my faculty is working with the Huntingtin protein. He'd just have to e-mail Vijay Pande and ask for the VMD files for whatever Huntingtin simulations Stanford currently has, and he would send? It's simple like that?

Re: Are there only villin trajectories at simtk.org?

Posted: Sat Mar 17, 2012 4:18 pm
by Jesse_V
Nantes wrote:
Jesse_V wrote:As 7im already said, they do share F@h data with others upon request.
Say a biochemistry researcher in my faculty is working with the Huntingtin protein. He'd just have to e-mail Vijay Pande and ask for the VMD files for whatever Huntingtin simulations Stanford currently has, and he would send? It's simple like that?
I would speculate that it'd be like that. If not, Dr. Pande could indicate further instructions. I don't recall reading any "fill out this form to get the data" page, so I would guess that it'd be that simple. But I've heard that there can be quite a bit of data. Each WU is what, like a half-MB or more, and you've got say 200 Runs, 200 Clones, and maybe 500 Generations. I made those numbers up but the point being that there could be gigabytes of folding information. Idk how you'd get the Markov State Model, but probably in similar ways. I'm just guessing here, but I don't think it would hurt to try.