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 one’s risk of developing Alzheimer’s disease. Alzheimer’s disease…
Read moreFolding@home has long sought to understand how proteins self-assemble, or fold, into their functional structures and what the functional implications of dynamics within the context of a folded protein are.…
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When it comes to designing novel drugs, achieving specificity is a major challenge. An effective drug must bind tightly to its target protein while avoiding unwanted side effects that can…
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G proteins are essential molecular players in the intricate symphony of cellular signaling. From our vision to our sense of smell, neurotransmission to cell growth, G proteins are at the…
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New projects from the Voelz lab focus on assessing how well modern force fields can model proteins, the biological machines of the cell.
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