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Quantitative Predictions of Binding Free Energy Changes in Drug-Resistant Influenza Neuraminidase

Quantitatively predicting changes in drug sensitivity associated with residue mutations is a major challenge in structural biology. By expanding the limits of free energy calculations, we successfully identified mutations in influenza neuraminidase (NA) that confer drug resistance to two antiviral d...

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Detalles Bibliográficos
Autores principales:	Ripoll, Daniel R., Khavrutskii, Ilja V., Chaudhury, Sidhartha, Liu, Jin, Kuschner, Robert A., Wallqvist, Anders, Reifman, Jaques
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3431292/ https://www.ncbi.nlm.nih.gov/pubmed/22956900 http://dx.doi.org/10.1371/journal.pcbi.1002665

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