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. 2020 Jul 8:1–13. doi: 10.1080/07391102.2020.1790037

Figure 2.

Figure 2.

Calculated MM-GBSA binding energies for the top nine potent natural-like products (NLPs) as SARS-CoV-2 main protease (Mpro) inhibitors over 100 ps and 1 ns implicit MD and 10 ns and 50 ns explicit MD simulations.