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. 2021 Jan 11;11:607797. doi: 10.3389/fphar.2020.607797

TABLE 2.

Binding energy and its constituents calculated through MM-PBSA calculations for the protein-ligand complexes.

Complexes Binding Energy (kJ/mol) Van der Waal's Energy (kJ/mol) Electrostatic Energy (kJ/mol) Polar Solvation Energy (kJ/mol) SASA Energy (kJ/mol)
NMDAR-hesperidin −254.160 −365.438 −127.379 268.324 −29.667
TRK-hesperidin −162.453 −339.164 −106.594 311.526 −28.221
GABA-hesperidin −156.108 −274.592 −98.771 241.504 −24.249
Interleukin10-hesperidin −249.671 −316.658 −98.299 191.066 −25.780