Molecular dynamics simulations suggest that electrostatic funnel directs binding of Tamiflu to influenza N1 neuraminidases.

Oseltamivir (Tamiflu) is currently the frontline antiviral drug employed to fight the flu virus in infected individuals by inhibiting neuraminidase, a flu protein responsible for the release of newly synthesized virions. However, oseltamivir resistance has become a critical problem due to rapid muta...

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Bibliographic Details
Main Authors: Ly Le, Eric H Lee, David J Hardy, Thanh N Truong, Klaus Schulten
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2010-09-01
Series:PLoS Computational Biology
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/20885781/pdf/?tool=EBI