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

Table 6

The same as in Table 3 but for GROMOS96 43a1 force field.

	Δ𝐸elec	Δ𝐸vdw	Δ𝐺sur	Δ𝐺PB	−𝑇Δ𝑆	Δ𝐺bind
SPC	−116.24±0.074	−25.03±0.014	−4.22±0.002	120.51±0.074	13.19	−11.79
SPC/E	−147.34±0.076	−28.33±0.013	−4.72±0.002	147.80±0.076	14.03	−18.56