Table 5.

The same as in Table 3 but for CHARMM27 force field.

	ΔE elec	ΔE vdw	ΔG sur	ΔG PB	−TΔS	ΔG bind
SPC	− 246.30 ± 0.429	− 12.93 ± 0.164	− 4.73 ± 0.005	230.70 ± 0.323	15.47	−17.79
SPC/E	− 260.11 ± 0.294	− 19.60 ± 0.154	− 4.94 ± 0.005	229.01 ± 0.181	14.79	−40.85
TIP3P	− 210.71 ± 0.429	− 17.82 ± 0.164	− 4.87 ± 0.005	195.15 ± 0.323	14.63	−23.62
TIP4P	− 198.60 ± 0.538	− 18.32 ± 0.186	− 4.29 ± 0.005	175.36 ± 0.369	14.79	−31.06