Table 4 Binding free energy (kcal/mol) of the selected compounds and P4N.
Complex | van der Waals energy | Electrostatic energy | Polar solvation energy | SASA a energy | Binding energy |
|---|---|---|---|---|---|
ZINC23845603 | −46.775 | −7.051 | 36.892 | −4.936 | −21.870 |
ZINC266691666 | −34.107 | −11.199 | 37.959 | −4.357 | −11.704 |
ZINC20267780 | −17.774 | −8.331 | 19.661 | −2.110 | −8.554 |
P4N | −50.858 | −11.546 | 39.107 | −4.972 | −28.267 |
