most citedComputationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation

44 citations

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physics.chem-ph2021★ 44 cited

Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation

L. El Khoury, Z. Jing, A. Cuzzolin +32

We report a fast-track computationally-driven discovery of new SARS-CoV2 Main Protease (M) inhibitors whose potency range from mM for initial non-covalent ligands to sub-$μ…