ArticleThe journal of physical chemistry. B2016
Microsecond Molecular Dynamics Simulations of Influenza Neuraminidase Suggest a Mechanism for the Increased Virulence of Stalk-Deletion Mutants.
Article in The journal of physical chemistry. B, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
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Who cites it
23 citing papers in PubMed, 43 citations in OpenAlex.
- Deglycosylation and truncation in the neuraminidase stalk are functionally equivalent in enhancing the pathogenicity of a high pathogenicity avian influenza virus in chickens.Journal of virology · 2025Article
- Neuraminidase Activity Modulates Cellular Coinfection during Influenza A Virus Multicycle Growth.mBio · 2023Article
- Molecular Dynamics Simulations Reveal the Conformational Transition of GH33 Sialidases.International journal of molecular sciences · 2023Article
- FPocketWeb: protein pocket hunting in a web browser.Journal of cheminformatics · 2022Article
- Molecular dynamics of the viral life cycle: progress and prospects.Current opinion in virology · 2021Review
- Article
- Large-Scale Molecular Dynamics Simulations of Cellular Compartments.Methods in molecular biology (Clifton, N.J.) · 2021Article
- H9N2 Influenza Virus Infections in Human Cells Require a Balance between Neuraminidase Sialidase Activity and Hemagglutinin Receptor Affinity.Journal of virology · 2020Article
- Effect of the selection pressure of vaccine antibodies on evolution of H9N2 avian influenza virus in chickens.AMB Express · 2020Article
- Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism.ACS central science · 2020Article
- Influenza A Virus Hemagglutinin-Neuraminidase-Receptor Balance: Preserving Virus Motility.Trends in microbiology · 2020Review
- PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web Browser.Journal of chemical information and modeling · 2019Article
- Extending the Stalk Enhances Immunogenicity of the Influenza Virus Neuraminidase.Journal of virology · 2019Article
- Emerging Diversity in Lipid-Protein Interactions.Chemical reviews · 2019Review
- Influenza Hemagglutinin and Neuraminidase: Yin⁻Yang Proteins Coevolving to Thwart Immunity.Viruses · 2019Review
- Building a macro-mixing dual-basin Gō model using the Multistate Bennett Acceptance Ratio.Biophysics and physicobiology · 2019Article
- Influenza Virus Neuraminidase Structure and Functions.Frontiers in microbiology · 2019Review
- Evidence of exposure and human seroconversion during an outbreak of avian influenza A(H5N1) among poultry in Cameroon.Emerging microbes & infections · 2019Article
- A Computational Assay that Explores the Hemagglutinin/Neuraminidase Functional Balance Reveals the Neuraminidase Secondary Site as a Novel Anti-Influenza Target.ACS central science · 2018Article
- All-atom virus simulations.Current opinion in virology · 2018Review
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 1 country.
Funding
Abstract
Deletions in the stalk of the influenza neuraminidase (NA) surface protein are associated with increased virulence, but the mechanisms responsible for this enhanced virulence are unclear. Here we use microsecond molecular dynamics simulations to explore the effect of stalk deletion on enzymatic activity, contrasting NA proteins from the A/swine/Shandong/N1/2009 strain both with and without a stalk deletion. By modeling and simulating neuraminidase apo glycoproteins embedded in complex-mixture lipid bilayers, we show that the geometry and dynamics of the neuraminidase enzymatic pocket may differ depending on stalk length, with possible repercussions on the binding of the endogenous sialylated-oligosaccharide receptors. We also use these simulations to predict previously unrecognized druggable "hotspots" on the neuraminidase surface that may prove useful for future efforts aimed at structure-based drug design.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.