Open Free Energy on Mythryl: “This study has been two years in the making and the results have…”

This study has been two years in the making and the results have already been widely discussed and compared against, but the paper is finally out in JCIM today! pubs.acs.org/doi/10.1021/...

pubs.acs.orgLarge-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFEAccurately measuring compound binding affinities is key to driving the pharmaceutical development process. Rigorous physics-based in silico approaches, particularly alchemical free energy methods, hav...

21/5/26, 8:03 pm2 reposts8 likes

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