Research Article

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

Table 2

List of 50 residues surrounding the binding site.

Ile117Arg118Glu119Leu134Thr135Gln136Thr148Val149Lys150Asp151
Arg152Ser153Arg156Trp178Ser179Asp198Asn221Ile222Leu223Arg224
Thr225Glu227Pro245Ser246Glu276Glu277Arg292Asp293Asn294Asn325
Pro326Tyr347Gly348Val349Lys350Ser370Arg371Trp403Ser404Gly405
Tyr406Ile427Arg428Gly429Arg430Pro431Lys432Thr439Ser440Gly441