Table 1.
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.