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. 2020 Nov 3:1–16. doi: 10.1080/07391102.2020.1841680

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Figure 9. — MM-GBSA binding free energy profiles of two Mpro-standard complexes and three Mpro-T. nucifera biflavonoids. The binding free energy values of Mpro-N3 complex, Mpro-lopinavir complex, Mpro-amentoflavone complex, Mpro-bilobetin complex and Mpro-ginkgetin complex were represented throughout the entire 100 ns simulation trajectory.