Table 5.
FullFitness (Kcal/mol) and estimated ΔG energies (kcal/mol) for binding Art/Zn, Angiotensin-converting enzyme-2 (ACE 2) receptor of SARS-CoV-2 virus.
| Cluster | FullFitness (Kcal/mol) | Estimated ΔG (Kcal/mol) |
|---|---|---|
| 0 | −2314.45 | −7.99 |
| 1 | −2308.07 | −7.35 |
| 2 | −2306.10 | −7.12 |
| 3 | −2306.73 | −7.30 |
| 4 | −2306.10 | −7.70 |
| 5 | −2305.76 | −7.27 |
| 6 | −2305.68 | −7.00 |
| 7 | −2305.97 | −6.68 |
| 8 | −2303.97 | −6.81 |
| 9 | −2304.61 | −7.19 |
| 10 | −2303.92 | −7.63 |
| 11 | −2303.77 | −7.52 |
| 12 | −2303.75 | −7.24 |
| 13 | −2303.28 | −7.08 |
| 14 | −2302.61 | −6.34 |
| 15 | −2301.62 | −6.46 |
| 16 | −2302.17 | −6.44 |
| 17 | −2302.07 | −7.49 |
| 18 | 2301.89 | −6.18 |
| 19 | −2301.78 | −6.65 |
| 20 | −2301.33 | −7.06 |
| 21 | −2301.62 | −6.59 |
| 22 | −2301.54 | −8.05 |
| 23 | −2301.12 | −6.37 |
| 24 | −2301.16 | −6.64 |
| 25 | −2301.08 | −6.19 |
| 26 | −2300.42 | −6.53 |
| 27 | −2300.12 | −6.60 |
| 28 | −2293.49 | −6.89 |
| 29 | −2299.55 | −6.86 |
| 30 | −2299.17 | −5.87 |
| 31 | −2296.88 | −7.21 |