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. 2024 Aug 27;14:19893. doi: 10.1038/s41598-024-70854-0

Table 6.

The MMPBSA binding free energy analysis of each ligand-SRC complex.

Ligand Energy terms (kJ/mol ± SD)
ΔE Van der Waal ΔE Electrostatic ΔE Solvation; Polar ΔE Solvation; SASA ΔE Bind
F − 203.475 ± 15.515 − 43.661 ± 11.113 183.821 ± 26.903 − 23.047 ± 1.113 − 86.363 ± 17.878
G − 245.731 ± 13.724 − 19.832 ± 7.105 170.754 ± 17.704 − 25.863 ± 1.105 − 120.671 ± 16.997
Control − 185.922 ± 16.917 − 32.705 ± 12.601 174.734 ± 23.403 − 21.150 ± 1.690 − 65.042 ± 18.419