230 citations · 315 across the 4 of their papers we have counts for
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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…
q-bio.QM2020★ 71 cited
Scaffold-constrained molecular generation
Maxime Langevin, Herve Minoux, Maximilien Levesque +1
One of the major applications of generative models for drug Discovery targets the lead-optimization phase. During the optimization of a lead series, it is common to have scaffold c…