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 ācrypticā…
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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…
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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…
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There has been growing interest in developing drugs that bind two or more proteins to āglueā them together. Tacrolimus (aka FK506) is a famous example. Ā Tacrolimus is an immune-suppressant that…
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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…
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The protein design field has been making great strides with the advent of new machine learning tools trained on large databases of protein structures and sequences. While designs coming from…
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In recent years, scientists have identified a new type of compartment in cells, often called a condensate. These condensates form when weakly interacting proteins and RNA molecules segregate themselves from…
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Our new work shows how to predict the results of single molecule experiments from large simulations, like those performed on Folding@home. Showing that simulations are consistent with experiments is important…
Read moreThe goal of precision medicine is to utilize our knowledge of the molecular causes of disease to better diagnose and treat patients. In the precision medicine framework, diseases are subdivided…
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A number of active projects on Folding@home right now aim to understand how different forms of the protein apolipoprotein E (ApoE) determine oneās risk of developing Alzheimerās disease. Alzheimerās disease…
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