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The Docking Interaction Parameters of Both Fe2O3 and Fe3O4 with S1-RDB of SARS-CoV-2 (Abo-Zeid et al., 2020).
| Ligands | Binding free energy (Kcal/mol) | Total Intermolecular energy (Kcal/mol) | Interacting amino acids | Hydrogen bonds | Hydrophobic interactions |
|---|---|---|---|---|---|
| Fe2O3 | −8.97 | −7.55 | Gly496, Gln493, Tyr 453 | 3 | Tyr495, Phe497, Tyr505 |
| Fe3O4 | −10.66 | −11.40 | Gly496, Gln493, Tyr 453 | 4 | Leu455, Ser494, Phe 497 |
