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

Table 4

The same as in Table 3 but for OPLS-AA/L force field.

	Δ𝐸elec	Δ𝐸vdw	Δ𝐺sur	Δ𝐺PB	−𝑇Δ𝑆	Δ𝐺bind
SPC	−211.98±0.105	−21.93±0.011	−4.99±0.002	155.68±0.077	14.23	−68.99
SPC/E	−212.69±0.107	−21.60±0.011	−5.03±0.002	155.01±0.080	14.93	−69.38
TIP3P	−213.83±0.105	−22.01±0.011	−4.93±0.002	160.32±0.080	15.25	−65.20
TIP4P	−208.64±0.105	−20.37±0.011	−4.98±0.002	153.48±0.077	16.26	−64.25