Table 3.

Binding free energy calculations of EGFR tyrosine kinase complexed with the lead metabolite of Trichoderma spp. and standard inhibitor.

Category	3W2S–saccharopine complex	3W2S–17β-estradiol complex
	Values (kcal/mol)	Values (kcal/mol)
Electrostatic energy	−133.567	−95.788
Van der Waals energy	−5.682	−3.564
Polar salvation energy	17.164	26.810
SASA energy	−10.240	−2.545
Binding energy	−87.740	−18.338