Article
Mutation-induced loop opening and energetics for binding of tamiflu to influenza N8 neuraminidase.
The journal of physical chemistry. B - 31 May 2012
Kar Parimal, Knecht Volker
Abstract excerpt
Tamiflu, also known as oseltamivir (OTV), binds to influenza A neuraminidase (H5N1) with very high affinity (0.32 nM). However, this inhibitor binds to other neuraminidases as well. In the present work, a systematic computational study is performed to investigate the mechanism underlying the bind...
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