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. 2020 Jul 24:1–16. doi: 10.1080/07391102.2020.1797536

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Figure 7. — The orientation of ZINC_252512772 (PDB 5R84) in the active site of SARS-CoV2 Mpro for the most populated cluster (93.3%), after 8, and 22 ns of MD simulations. Cys145, Glu166, and Thr190 were depicted as blue sticks to represent the dimensions of the active site for better comparison.