Table 3.
Binding energy analysis of compound 4U9 and compound 15643 combined with proteins.
Criteria | Title 2 | Title 3 |
---|---|---|
Van der Waal energy (kJ/mol) | −95.966 | −111.088 |
Electrostatic energy (kJ/mol) | −1.533 | −46.172 |
Polar solvation energy (kJ/mol) | 40.820 | 101.594 |
SASA energy (kJ/mol) | −10.706 | −13.171 |
Binding energy (kJ/mol) | −67.404 | −68.837 |