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Results of MD of NZO-SARS-CoV-2 S-protein-ACE-2 complex. (A) RMSF of the NZO-SARS-CoV-2 S-protein-ACE-2 complex. RMSF of protein and ligand were < 2 Å for most of the simulation time. (B) Secondary structure elements (SSE) of the apo form of SARS-CoV-2 S-protein-ACE-2. (C) SSE of the NZO-SARS-CoV-2 S-protein-ACE-2 complex. No significant change in the percentage of SSE between the apo and bound proteins indicates conformational stability.
