Effects of Water Models on Binding Affinity: Evidence from All-Atom Simulation of Binding of Tamiflu to A/H5N1 Neuraminidase

Table 5

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

	Δ𝐸elec	Δ𝐸vdw	Δ𝐺sur	Δ𝐺PB	−𝑇Δ𝑆	Δ𝐺bind
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