Effects of Water Models on Binding Affinity: Evidence from All-Atom Simulation of Binding of Tamiflu to A/H5N1 Neuraminidase
Figure 2
The construction of convex hull for the binding site. atoms of fifty residues which define the binding pocket are shown in blue ball. Not all sides of polyhedron are shown. Oseltamivir is colored in green. Water molecules are also presented.
