Server move and brief outage
The Bowman lab at U Penn recently underwent a massive migration of our physical hardware.
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50 itemsNews of the research projects that Gridcoin pays for and of the Gridcoin releases, newest first. Press releases that companies pay to publish here are in the list too, marked as sponsored: Gridcoinstats does not write them and does not stand behind what they say.
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AI for Cryptic Pockets
Cryptic pockets are of significant interest for drug discovery. These pockets are closed in the snapshots scientists derive from experiments of what a protein typically looks like. However, in…
Markov state models (MSMs)
Folding@home lets us generate a lot more simulation data than is typically possible otherwise. Historically, lots of simulation studies have relied on a few simulations, let’s say one to ten. With…
AI and Folding@home
As artificial intelligence (AI) continues to evolve rapidly, it’s interesting to regularly ask what AI means for Folding@home. In a nutshell, the current state of AI opens up lots of opportunities…
Force field comparisons
One of the big challenges with simulations of protein dynamics is getting enough data. That’s where Folding@home and all of the compute power that you volunteer to dedicate to running simulations…
Happy 2026! (belated)
Thanks to everyone who helped get a lot of great science done in 2025! We're looking forward to a great 2026 with you! First, the good stuff! Folding@home is continuing to provide insight into…
Catching KRAS in the Act: Simulations Reveal New Paths for Targeted Protein Degradation
Mutations in the KRAS protein are among the most common drivers of human cancers, including lung, pancreatic, and colorectal tumors. Despite decades of effort, KRAS has been considered a particularly…
Quantifying the accuracy of protein simulation models
How do we know our molecular simulation models are accurate? This is a very important aspect of all the work we perform on Folding@home . If we want to use simulations to model the dynamics and…
FAH is enabling AI developments
With all the advances happening in artificial intelligence (AI), it’s natural to ask if one could develop an algorithm that predicts protein dynamics with far less computer time than running…
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 Européen de Calcul…
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 ‘cryptic’…
BRCA1 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 a…
Stand 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 and your local event here . Publicly funded science…
New 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 can find the controls by…
Happy 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 and informing new…
An allosteric glue
There has been growing interest in developing drugs that bind two or more proteins to “glue” them together. Tacrolimus (aka FK506) is a famous example. Tacrolimus is an immune-suppressant that is…
Better folding through biased simulations
A central goal of Folding@home is to use distributed computing to solve problems that would otherwise be intractable. Protein folding is a terrific problem to address with this approach: by spawning…
Predicting drugs’ 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 a…
Peptide 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 performing some function, like…
Function of a cryptic pocket
One of the Bowman lab’s major foci is on finding and targeting cryptic pockets. Cryptic pockets are absent in experimentally derived structures of what a protein typically looks like but open up due…
The Bowman Lab Rig
Folding@home is an unmatched resource for running molecular dynamics simulations on a massive scale. The need for significant computational resources doesn't end with data generation though, as…