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:…
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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…
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