Happy Holidays! Looking back at 2013 and forward to 2014 …
As the year ends, it’s a natural time to look at some key highlights of we’ve done in 2013 and look ahead to what’s on deck for 2014. Â One of…
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Key new results published in Nature Chemistry
A key new work from the Pande Group just came out in Nature Chemistry and got a nice holiday present: our work on the cover! Briefly, we applied methods developed and…
Read moreChanges to the bigadv threshold
We have a policy of periodically re-evaluating the bigadv program, including the threshold required to run bigadv projects. It is the intent of bigadv to match large and resource-intensive work…
Read moreUnder the hood at Berkeley
The Bowman lab at the University of California, Berkeley recently purchased its first Folding@home server and I thought I would share a little bit about what’s under the hood. The…
Read moreChanges in Core17: update and move to full fah
With FAH GPU Core17 taking over the lion share of our calculations, with the older cores (especially core15 and core16) phasing out (as previously announced), we’re rolling out core 17…
Read moreDynamics of an intrinsically disordered protein reveal metastable conformations that potentially seed aggregation
Amyloid fibril deposits of the intrinsically disordered hIAPP peptide are found in 95% of type II diabetes patients, and the aggregation of this peptide is suggested to induce apoptotic cell-death in insulin-producing β-cells. Understanding the structure and dynamics of the hIAPP monomer in solution is thus important for understanding the nucleation of aggregatio…
Read morePlanned maintenance complete, server room back online
Our planned maintenance is now complete and that server room is now back online. Â The stats update has recommenced.
Read moreStats manually turned off in preparation for early Tuesday morning shutdown
One of our primary server rooms will be shutdown for service tomorrow morning. Â Most of FAH will be operational, but we’re taking the stats update off line now so there…
Read moreLearning Kinetic Distance Metrics for Markov State Models of Protein Conformational Dynamics.
R. T. McGibbon and V. S. Pande.  J. Chem. Theory Comput., DOI: 10.1021/ct400132h (2013) Building Markov State Models (MSMs) is at the heart of how FAH can take advantage of hundreds of thousands…
Read moreImprovements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9.
C. Schwantes and V. S. Pande.  Journal of Computational and Theoretical Chemistry, in press (2013) A third paper in improved MSM designs, this paper shows how modern MSMs approaches can now pick…
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