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MMGBSA Study Group
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Cournia2020Rigorous_a6 #3

Open dprada opened 3 years ago

dprada commented 3 years ago

Zoe Cournia, Bryce K. Allen, Thijs Beuming, David A. Pearlman, Brian K. Radak, and Woody Sherman. "Rigorous free energy simulations in virtual screening". Journal of Chemical Information and Modeling 60, no. 9 (2020): 4153-4169.

Three lines summary to be written by @Charlos07

cramg commented 3 years ago

In this article, the authors exposed their affinity in ABFE calculations in vHTS workflows. They emphasize the relation between computational technology and the scope of the proposed methodologies.