Table 1 Using MM/GBSA (kcal/mol). the interacting energies between receptor-binding domain (RBD) and angiotensin-converting enzyme 2 (ACE2) for the three structures (6M0J, 7C8D, and 7A95) were calculated. Bold red highlights the area with the highest interaction energy
From: Potential antiviral peptides targeting the SARS-CoV-2 spike protein
Structure | MM/GBSA Scores (kcal/mol) | Average score | ||
|---|---|---|---|---|
6M0J | −60.91 | −59.7 | −61.06 | −60.56 ± 0.75 |
7C8D | − 55.17 | −50.37 | − 52.92 | − 52.82 ± 2.40 |
7A95 | −56.36 | − 55.14 | − 55.14 | −55.55 ± 0.70 |