Table 5.
Criteria | JQT | 51320 |
---|---|---|
Van der Waal energy (kJ/mol) | −291.250 ± 1.797 | −227.131 ± 21.896 |
Electrostatic energy (kJ/mol) | 12.196 ± 11.229 | −179.032 ± 18.056 |
Polar solvation energy (kJ/mol) | 111.917 ± 12.103 | 271.823 ± 28.866 |
SASA energy (kJ/mol) | −19.948 ± 0.176 | −20.535 ± 0.727 |
Binding energy (kJ/mol) | −187.084 ± 0.748 | −154.875 ± 25.470 |