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.
| Ile117 | Arg118 | Glu119 | Leu134 | Thr135 | Gln136 | Thr148 | Val149 | Lys150 | Asp151 | Arg152 | Ser153 | Arg156 | Trp178 | Ser179 | Asp198 | Asn221 | Ile222 | Leu223 | Arg224 | Thr225 | Glu227 | Pro245 | Ser246 | Glu276 | Glu277 | Arg292 | Asp293 | Asn294 | Asn325 | Pro326 | Tyr347 | Gly348 | Val349 | Lys350 | Ser370 | Arg371 | Trp403 | Ser404 | Gly405 | Tyr406 | Ile427 | Arg428 | Gly429 | Arg430 | Pro431 | Lys432 | Thr439 | Ser440 | Gly441 |
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