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楼主 |
发表于 2008-12-24 08:42:50
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官方论坛的表述：
We are releasing more exciting new projects for the NVidia GPU clients. These simulations are similar to the simulations of Protein L and ACBP (projects 5749-5764) -- full production runs of a good-sized protein that should really test the limits of fast folding simulations.
Projects 5765-5772:
NTL9, a mixed alpha-helix/beta-sheet protein with 627 atoms, being served from vsp07v.
See for details: http://fah-web.stanford.edu/cgi-bin/fahproject?p=5765
The simulation entails the first 39 residues of the sequence of L9, which has been well studied and shown to fold autonomously on a millisecond time scale. NTL9 has been simulated in the lab before, but only in a limited sense (perching a protein right on the edge of folding/unfolding, and simulated many short trajectories). With the GPU simulations, we may have the chance to directly observe folding/unfolding events, which is an exciting prospect.
The small size of this protein should be very amenable to fast folding simulations out to microseconds time scales relatively quickly. (You will notice that NTL9 has about half as many atoms as ACBP, so expect an improvement in performace compared to the Protein L and ACBP simulations.)
Like before, we're requiring minimum core version v1.19 on these projects.
Vince
Pande Lab |
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发表于 2008-12-24 08:31:23
