Table 1 RBD/Ace2-binding energy scores calculated by iGEMDOCK 2.1
From: Coffee as a dietary strategy to prevent SARS-CoV-2 infection
| Â | Total energy (kcal/mol) | VDW (kcal/mol) | H Bond (kcal/mol) | Elec (kcal/mol) |
|---|---|---|---|---|
isoCGA-C | −160.23 | −132.18 | −28.05 | 0.00 |
isoCGA-A | −156.34 | −107.15 | −47.52 | −1.67 |
isoCGA-B | −152.19 | −105.00 | −43.31 | −3.89 |
CGA | −124.72 | −95.12 | −29.89 | 0.30 |
Caffeine | −79.51 | −59.74 | −19.77 | 0.00 |