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In our simulations, we use models (aka “force fields”) of how a protein’s atoms interact physically.  Recently, we’ve made an important advance in how to make these models, which will,…

Our paper “Activation pathway of Src kinase reveals intermediate states as targets for drug design” in Nature Communications has just come out.  As with Nature journals, it’s unfortunately behind a pay…

The Biophysical Society, an international group that brings together researchers taking a physical perspective on biology, just had its annual meeting in San Francisco.  A number of us involved with…

Through a collaboration with Google, the Huang lab at  UST Hong Kong, and the Pande Lab at Stanford University, we’ve been working on a new way to run Folding@home –– through the browser.  The primary…

I’ll be presenting a webinar on Folding@home open to the public on Tuesday, May 27, 2014 9:00 AM – 10:00 AM PDT.  You can register on this link: https://www2.gotomeeting.com/register/688201986.  The…

We’ve been suspicious that the stats system has been undercounting ATI/AMD GPUs for some time now and we have found the issue.  We’ve rolled out an update to the stats…

I recently gave a webinar on OpenMM, the heart of our Core17 for GPUs (and also now more recently, high performance computing on multi-core CPUs as well).  Here’s a link…

Our recent work on simulating kinases on Folding@home and the simulation’s use in identifying potential new cancer drug targets has been just accepted for publication in Nature Communications this morning.  I’ll post…

We’ve added a few papers to the Papers page.  The most important application result is our work on GPCR intermediates as new possible drug targets.  We also have several new…

I’ll be speaking at the NVIDIA GTC on our recent work in cancer.  Specifically, it’s talk S4133, entitled “OpenMM Molecular Dynamics on Kinases: Key Cancer Drug Targets Revealed with New Methods…