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Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
An optimized model of inhibitor 9a (violet) in the active site of SARS-CoV-2 3CL protease. The model was created based upon the X-ray structure of inhibitor 4 bound to SARS-CoV-2 3CL protease (PDB code:7RBZ).