Reunion in Madison
Last week we had a really nice meeting in Madison, WI on combining simulations and machine learning to understand protein dynamics. This meeting was hosted through CECAM (Centre EuropĂ©en de…
Read moreNews
Experimental confirmation of spike dynamics
Early during the COVID-19 pandemic, our simulations of the coronavirus spike protein led us to predict that it opens up far more widely than previously thought. This opening reveals âcrypticâ…
Read moreBRCA1 in breast cancer
About 2,300,000 people are diagnosed with breast cancer every year. Of these, approximately 70,000 have mutations in the breast cancer gene 1 (BRCA1), which encodes the BRCA1 protein. BRCA1 plays…
Read moreStand up for Science
Please join us as we Stand Up for Science in cities across the US on Friday March 7. You can find more details on the main event in Washington DC…
Read moreNew client v8.4.9
If you haven’t already, we invite you to check out the latest release of the Folding@home client (v8.4.9)! This version makes it much easier to create and join teams. You…
Read moreHappy new year 2025!
Thanks to everyone who participated in Folding@home this past year, and happy new year to you and yours! With your help, we’ve made a lot of progress towards understanding biology…
Read moreAn allosteric glue
There has been growing interest in developing drugs that bind two or more proteins to âglueâ them together. Tacrolimus (aka FK506) is a famous example. Â Tacrolimus is an immune-suppressant that…
Read moreBetter folding through biased simulations
A central goal of Folding@home is to use distributed computing to solve problems that would otherwise be intractable. Â Protein folding is a terrific problem to address with this approach:…
Read morePredicting drugsâ lipophilicity with Folding@home
Computational chemistry and machine learning continue to play an increasing role in drug discovery. One advance has been the increased accuracy with which we can predict the affinity of…
Read morePeptide and protein design
Peptides are short proteins. For proteins, one typically envisions a long chain of amino acids that has folded up on itself to form a compact blob that is capable of…
Read more