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. 2021 Dec 25;20(1):29. doi: 10.3390/md20010029

Table 5.

Binding energy of binding for the protein complexed with ligands JQT, 51320.

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