Changes to psummary files in the works
We will be adding one new field to the psummary web pages (eg, https://apps.foldingathome.org/psummary.html) to include a new part of FAH stats. We will give more info soon, but for…
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stats hiccup — we're on it
There was a problem with the stats server over the night. We got to it first thing in the morning (around 6:30am pacific time), but it looks like a few…
Read moreUpdates on new cores: Protomol and GPU3 core
There has been a lot of work on updating the Protomol core to bring it in line with the other cores in Folding@home. I'm happy to say that a lot…
Read moreNew servers coming soon
We've ordered a new class of servers which should make a big impact on FAH server load, and also allow us to release several new big projects with more WUs.…
Read moreBayesian comparison of Markov models of molecular dynamics with detailed balance constraint
S. Bacallado, J. Chodera, and V. Pande. Journal of Chemical Physics 131, 045106 (2009). SUMMARY. Markov State Models (MSMs) are one of the most common ways to analyze Folding@Home simulations.…
Read moreCombining Molecular Dynamics with Bayesian Analysis To Predict and Evaluate Ligand-Binding Mutations in Influenza Hemagglutinin.
P. M. Kasson, D. L. Ensign, and V. S. Pande. Journal of the American Chemical Society (2009). Published online 2009 July 28. SUMMARY. The influenza virus infects people and animals…
Read moreThe Roles of Entropy and Kinetics in Structure Prediction.
G. R. Bowman and V. S. Pande. PLoS ONE 4(6): e5840 (2009) ABSTRACT. Here we continue our efforts to use methods developed in the folding mechanism community to both better…
Read moreUsing generalized ensemble simulations and Markov state models to identify conformational states.
G. R. Bowman, X. Huang, and V. S. Pande. Methods 49(2): 197-201 (2009) ABSTRACT Part of understanding a molecule’s conformational dynamics is mapping out the dominant metastable, or long lived,…
Read moreFolding@home: lessons from eight years of distributed computing.
A. Beberg and V. S. Pande. ipdps, pp.1-8, IEEE International Symposium on Parallel & Distributed Processing (2009) ABSTRACT Accurate simulation of biophysical processes requires vast computing resources. Folding@home is a…
Read moreProbing the nanosecond dynamics of a designed three-stranded beta-sheet with massively parallel molecular dynamics simulation.
V. A. Voelz, E. Luttmann, G. R. Bowman, and V.S. Pande. International Journal of Molecular Sciences 10(3): 1013 (2009) ABSTRACT Recently a temperature-jump FTIR study of a designed three-stranded sheet…
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