. 2017 Aug 21;3:17051. doi: 10.1038/cddiscovery.2017.51

Table 1. The predicted binding free energies and the individual energy components of FPND toward ROCK1 and ROCK2 (ε_in=2.0).

Ligand	Protein	Non-polar contributions		Polar contributions		ΔG_pred
		ΔE_vdw	ΔG_SA	ΔE_ele	ΔG_GB
FPND	ROCK1	−51.80±2.92	−4.53±0.12	−183.37±3.06	189.14±2.00	−50.57±1.97
FPND	ROCK2	−34.88±0.03	−3.33±0.03	−171.43±5.3	176.58±4.84	−34.88±0.03

Table 1. The predicted binding free energies and the individual energy components of FPND toward ROCK1 and ROCK2 (εin=2.0).