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. 2023 Jun 19;9(6):e17177. doi: 10.1016/j.heliyon.2023.e17177

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