Research Article
[Retracted] Computational Study on the Inhibitory Effect of Natural Compounds against the SARS-CoV-2 Proteins
Table 3
HOMO, LUMO, solvation energy, and MESP of top hit homeopathy compounds.
| Compound ID | HOMO (eV) | LUMO (eV) | Solvation energy (kcal/mol) | MESP (kcal/mol) | Most negative potential | Most positive potential |
| 7402935 | −0.233 | −0.006 | −0.11 | −66.59 | 105.98 | 320361 | −0.234 | −0.067 | −29.27 | −54.43 | 65.38 | 3802778 | −0.217 | −0.0706 | −121.60 | −187.23 | 47.84 | 5315832 | −0.218 | −0.069 | −107.41 | −183.69 | 56.04 | 14590080 | −0.237 | −0.0147 | −78.15 | −60.35 | 66.97 |
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