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20202023
most citedMachine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems

230 citations · 315 across the 4 of their papers we have counts for

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Showing 2021Show all

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q-bio.QM2021★ 1 cited

In silico drug repositioning for COVID-19 using absolute binding free energy calculations

Théau Debroise, Rose Hoste, Quentin Chamayou +6

Since the rise of the SARS-CoV-2 pandemic in the winter of 2019, the need for an affordable and efficient drug has not yet been met. Leveraging its unique, fast and precise binding…