Table 1.

Free energy contribution of GTP liganded simulations.

Contribution	GTP-SER11 system (Kcal/mol)	GTP-PSER11 system (Kcal/mol)
ΔGbind	−62.88 ± 8.59	−68.67 ± 8.35
ΔEelec	−498.66 ± 109.20	−520.18 ± 61.72
ΔEvdW	−45.88 ± 5.69	−48.48 ± 5.92
ΔGsolv	481.66 ± 104.23	500.00 ± 57.16
ΔGsolv−np	−8.95 ± 0.54	−10.01 ± 0.51
ΔGsolv−polar	490.62 ± 104.17	510.02 ± 57.19