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. 2019 Apr 16;20(8):1876. doi: 10.3390/ijms20081876

Table 1.

Binding energy for three binding modes.

Binding Mode Polar Solvation Energy (kcal/mol) Non-Polar Solvation Energy (kcal/mol) Van der Waals Energy (kcal/mol) Coulombic Energy (kcal/mol) Total Binding Energy (kcal/mol)
Mean SD [a] Mean SD Mean SD Mean SD Mean SD
1 99.41 19.46 −14.58 0.73 −80.80 6.50 −64.89 25.22 −60.85 8.05
2 208.20 28.27 −19.17 1.05 −119.74 10.25 −167.72 32.72 −98.43 9.83
3 8.42 16.23 −9.67 0.71 −46.25 5.59 23.69 16.67 −23.81 5.65

[a] Standard deviation.