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Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases

Overview of attention for article published in PLoS Computational Biology, September 2010
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About this Attention Score

  • In the top 25% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (85th percentile)
  • Good Attention Score compared to outputs of the same age and source (74th percentile)

Mentioned by

blogs
1 blog
wikipedia
1 Wikipedia page
f1000
1 research highlight platform

Citations

dimensions_citation
55 Dimensions

Readers on

mendeley
101 Mendeley
citeulike
2 CiteULike
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Title
Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases
Published in
PLoS Computational Biology, September 2010
DOI 10.1371/journal.pcbi.1000939
Pubmed ID
Authors

Ly Le, Eric H. Lee, David J. Hardy, Thanh N. Truong, Klaus Schulten

Abstract

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 mutation of the flu virus. Unfortunately, how mutations actually confer drug resistance is not well understood. In this study, we employ molecular dynamics (MD) and steered molecular dynamics (SMD) simulations, as well as graphics processing unit (GPU)-accelerated electrostatic mapping, to uncover the mechanism behind point mutation induced oseltamivir-resistance in both H5N1 "avian" and H1N1pdm "swine" flu N1-subtype neuraminidases. The simulations reveal an electrostatic binding funnel that plays a key role in directing oseltamivir into and out of its binding site on N1 neuraminidase. The binding pathway for oseltamivir suggests how mutations disrupt drug binding and how new drugs may circumvent the resistance mechanisms.

Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 101 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 7 7%
Indonesia 2 2%
Denmark 2 2%
France 1 <1%
Germany 1 <1%
United Kingdom 1 <1%
Russia 1 <1%
China 1 <1%
Unknown 85 84%

Demographic breakdown

Readers by professional status Count As %
Researcher 27 27%
Student > Ph. D. Student 19 19%
Student > Master 14 14%
Professor 6 6%
Student > Postgraduate 6 6%
Other 20 20%
Unknown 9 9%
Readers by discipline Count As %
Agricultural and Biological Sciences 36 36%
Chemistry 22 22%
Biochemistry, Genetics and Molecular Biology 13 13%
Physics and Astronomy 5 5%
Computer Science 4 4%
Other 10 10%
Unknown 11 11%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 10. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 07 March 2020.
All research outputs
#3,828,236
of 25,628,260 outputs
Outputs from PLoS Computational Biology
#3,294
of 9,018 outputs
Outputs of similar age
#15,062
of 106,818 outputs
Outputs of similar age from PLoS Computational Biology
#15
of 58 outputs
Altmetric has tracked 25,628,260 research outputs across all sources so far. Compared to these this one has done well and is in the 85th percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 9,018 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 20.4. This one has gotten more attention than average, scoring higher than 63% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 106,818 tracked outputs that were published within six weeks on either side of this one in any source. This one has done well, scoring higher than 85% of its contemporaries.
We're also able to compare this research output to 58 others from the same source and published within six weeks on either side of this one. This one has gotten more attention than average, scoring higher than 74% of its contemporaries.