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. 2022 Dec 17:1–16. Online ahead of print. doi: 10.1007/s11224-022-02113-9

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Fig. 9 — Energy contribution for the antiviral peptides (AVP1155 and AVP1235) and SARS-CoV-2 proteins (main protease, RBD with ACE2, RdRp, Nsp15, and Nsp9). A Electrostatic energy pattern from an MD simulation plotted. The description depicts how electrostatic forces changed throughout the MD simulation. B van der Waals (VDW) energy contribution and changes in the VDW energy during the MD simulation. C Contributions to the total energy and changes in the total energy over the duration of the 100 ns MD simulation