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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Hauptverfasser: Ripoll, Daniel R., Khavrutskii, Ilja V., Chaudhury, Sidhartha, Liu, Jin, Kuschner, Robert A., Wallqvist, Anders, Reifman, Jaques
Format: Artigo
Sprache:Inglês
Veröffentlicht: Public Library of Science 2012
Schlagworte:
Research Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3431292/
https://ncbi.nlm.nih.gov/pubmed/22956900
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1002665
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