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. 2021 Sep 8:1–12. doi: 10.1080/07391102.2021.1975569

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Figure 3. — Time evolution of the structure and interactions in the complexes of A- Wild-type Spike/ACE2 (control), B- Spike_E484K/ACE2 C- Spike_N501Y/ACE2, and D- Spike_South_Africa_triple (K417N + E484K + N501Y)/ACE2 in molecular dynamics simulations. In the left the root-mean-square deviation (RMSD) of atomic positions of the ligand (spike glycoprotein, black) and of the receptor (ACE2, red) are shown, whereas in the right the number of hydrogen bonds between spike glycoprotein and hACE2 is shown.