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. 2023 Aug 15;28(16):6059. doi: 10.3390/molecules28166059

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