Stats back online!
Stanford IT managed to finish their work earlier than expected. Stats should be back up and operating normally.
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Stats Down for Scheduled Maintenance until 12/9
The stats server will be down between December 7th and the 9th. Points will not be accessible during this time, but will still be accruing.
Read moreDefining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Apoptosis-inducing factor (AIF) is critical for mitochondrial respiratory complex biogenesis and for mediating necroptotic parthanatos; these functions are seemingly regulated by enigmatic allosteric switching driven by NADH charge-transfer complex (CTC) formation. Here, we define molecular pathways linking AIF’s active site to allosteric switching regions by characterizing dimer-permissive mutants using small-angle X-ray scattering (SAXS) and crystallography and by probing AIF-CTC communicati…
Read moreTraining and Validation of a Liquid-Crystalline Phospholipid Bilayer Force Field.
Related Articles Training and Validation of a Liquid-Crystalline Phospholipid Bilayer Force Field. J Chem Theory Comput. 2016 Dec 13;12(12):5960-5967 Authors: McKiernan KA, Wang LP, Pande VS Abstract We present a…
Read moreMeasuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge.
Small molecule distribution coefficients between immiscible nonaqueuous and aqueous phases-such as cyclohexane and water-measure the degree to which small molecules prefer one phase over another at a given pH. As distribution coefficients capture both thermodynamic effects (the free energy of transfer between phases) and chemical effects (protonation state and tautomer effects in aqueous solution), they provide an exacting test of the thermodynamic and chemical accuracy of physical models with…
Read moreUsing F@H to “Drug the Undruggable”
In Project 10490, the Chodera lab is studying a small protein called KRAS, which forms a key link in growth signaling and cancer. This gene is something like a molecular…
Read moreStats System is up and running under a new url
We experienced some technical issues with one of our client-side servers (foldingathome.org). And have worked hard to solve this. Which resulted in a server transfer and new urls for: Â https://stats.foldingathome.org/donors…
Read moreCore 21 (OpenMM GPU) issues with new Windows NVIDIA drivers 375.57 and 375.63
Core 21 (OpenMM GPU) issues with new Windows NVIDIA drivers 375.57 (released 10/20) and 375.63 (released 10/23) We have received a number of reports that the recent release of Windows NVIDIA…
Read moreUnderstanding epigenetic cancer targets with Folding@home: Histone methyltransferases NSD1, NSD2, and NSD3
The Chodera Lab at the Memorial Sloan Kettering Cancer Center is now running a series of projects to study the conformational dynamics of histone methyltransferases to aid in the rational design of new small molecule…
Read moreUsing Folding@home to understand the molecular mechanism of mTOR activating mutants in kidney cancer
mTOR, a serine/threonine kinase first discovered in 1994, is a key signaling node that integrates a number of inputs to control processes such as cell growth and metabolism, among others.…
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