Table 4.

Binding-free energy (kJ/mol) for the inactive (1R0P) and active (2RFS) conformation of c-Met by MM-PBSA

Complex	ΔE vdw	ΔE ele	ΔG ps	ΔG SASA	ΔG binding
2RFS-ZINC03871891	−179.66 ± 0.43	−16.16 ± 0.19	83.44 ± 0.29	−15.90 ± 0.03	−128.27 ± 0.48
2RFS-ZINC08234189	−211.29 ± 0.51	−36.93 ± 0.66	156.19 ± 0.91	−21.17 ± 0.04	−113.19 ± 0.59
1R0P-ZINC03871891	−158.25 ± 0.45	−28.11 ± 0.66	88.80 ± 0.53	−16.19 ± 0.03	−113.71 ± 0.51
1R0P-ZINC08234189	−215.02 ± 0.62	−52.03 ± 0.97	181.27 ± 1.61	−21.82 ± 0.05	−107.60 ± 0.81

vdw van der Waals interaction energy, ele electrostatic interaction energy, ps polar solvation energy, SASA nonpolar solvation energy