Table 1.

Energetic contribution to PyDock score.

Complex	Electrostatic energy (kcal/mol)	Desolvation energy (kcal/mol)	VdW (kcal/mol)	RMSD (nm)
Ranibizumab/VEGFA	−7	−24	−76	0.05 vs. 1CZ8
Fab-bevacizumab/VEGFA	−8	−20	−62	0.05 vs. 1BJ1
*VEGFR1d2_R2d3/VEGFA	−22	−9	19	0.30 vs. 2X1W 0.20 vs. 3V2A
**VEGFR1d2_R2d3/VEGFA	−11	−12	34	0.40 vs. 2X1W 0.50 vs. 3V2A

VdW (Van der Waals interaction energy), RMSD (root-mean-square deviation).

^*Aflibercept binding domain optimized with MD.

^**Aflibercept binding domain without structural optimization.