Many drugs are small molecules that are able to block the active site of a protein, usually by binding to a small pocket. But for many proteins, especially signaling proteins…
Read more[Guest post by Daniel L. Parton of the Chodera Lab, Memorial Sloan-Kettering Cancer Center.] We’re about to roll out our first major F@h project on the new work server at…
Read moreThe Chodera laboratory at the Memorial Sloan-Kettering Cancer Center (MSKCC) has just received our new Folding@Home server hardware, allowing us to tap into the 10+ PFLOP/s of computing resources generously provided…
Read moreDonors are often curious to hear about recent results. While one can read our papers, listed on our web site, those are fairly technical and intended for a biological or…
Read moreWe have two papers (one that just came out in PNAS and one that's about to come out in Physical Review Letters — papers #74 and #75 on our papers…
Read moreSimulating protein folding on the millisecond timescale has been a major challenge for many years. When we started Folding@home, our first goal was to break the microsecond barrier. This barrier…
Read moreAs announced some time ago we have been working on a new core (Protomol core B4), and it has been looking good in QA so we have started to release…
Read moreI'm at NIH today for the IMAG meeting on the Impact of Modeling on Biomedical Research. IMAG stands for the Interagency Modeling and Analysis Group and it constitutes all of…
Read moreTwo key parts of FAH technology — OpenMM (the software that powers FAH on GPUs) and MSMbuilder (the algorithms that FAH uses to stitch together hundreds of thousands of donor…
Read moreThe scientific code underlying our research has a lot of dials and switches. It can be very tempting to play with those switches to optimize the calculations. However, many of…
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