New FAH software client: V7.4.15 in open beta testing
I am happy to announce we have a new client ready for beta testing. This client makes some important improvements over the v7.4.4 release. In addition to a number of…
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Markov models of the apo-MDM2 lid region reveal diffuse yet two-state binding dynamics and receptor poses for computational docking.
MDM2 is a negative regulator of p53 activity and an important target for cancer therapeutics. The N-terminal lid region of MDM2 modulates interactions with p53 via competition for its binding cleft, exchanging slowly between docked and undocked conformations in the absence of p53. To better understand these dynamics, we constructed Markov State Models (MSMs) from large collections of unbiased simulation trajectories of apo-MDM2, and find strong evidence for diffuse, yet two-state folding and b…
Read moreTransition path theory analysis of c-Src kinase activation.
Proc Natl Acad Sci U S A. 2016 Aug 16;113(33):9193-8. doi: 10.1073/pnas.1602790113. Epub 2016 Aug 1. Meng Y, Shukla D, Pande VS, Roux B. Our results suggest that the combination…
Read moreFinding Our Way in the Dark Proteome.
J Am Chem Soc. 2016 Aug 10;138(31):9730-42. doi: 10.1021/jacs.6b06543. Epub 2016 Jul 19. Bhowmick A, Brookes DH, Yost SR, Dyson HJ, Forman-Kay JD, Gunter D, Head-Gordon M, Hura GL, Pande…
Read moreA significant milestone – 100 PetaFLOPs
A lot of progress has been made in the last few years and we broke yet another barrier when we exceeded 100 PetaFLOPs.
Read moreOut with the old psummary, reminder of the new
Our projects page is a key way for donors to see the most up to date information about what is running on Folding@home. About a year and a half ago…
Read moreEnsembler: Enabling High-Throughput Molecular Simulations at the Superfamily Scale.
PLoS Comput Biol. 2016 Jun 23;12(6):e1004728. doi: 10.1371/journal.pcbi.1004728. eCollection 2016. Parton DL, Grinaway PB, Hanson SM, Beauchamp KA, Chodera JD. The rapidly expanding body of available genomic and protein…
Read moreEnsembler: Enabling High-Throughput Molecular Simulations at the Superfamily Scale
The rapidly expanding body of available genomic and protein structural data provides a rich resource for understanding protein dynamics with biomolecular simulation. While computational infrastructure has grown rapidly, simulations on an omics scale are not yet widespread, primarily because software infrastructure to enable simulations at this scale has not kept …
Read moreWhere can I see more detail about what's going on in FAH?
For those new to FAH, here’s a reminder for where the nitty gritty details can be found if people are interested to learn more than what’s on our web site.…
Read moreClosing in on 100 Petaflops
It’s been a while since we updated the FLOP per GPU report (since Tue, 26 Feb 2013 in fact).  A lot of progress has been made in 3+ years in GPU-land.…
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