↓ Skip to main content

Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways

Overview of attention for article published in Nature Chemistry, December 2013
Altmetric Badge

About this Attention Score

  • In the top 5% of all research outputs scored by Altmetric
  • Among the highest-scoring outputs from this source (#40 of 2,134)
  • High Attention Score compared to outputs of the same age (99th percentile)
  • High Attention Score compared to outputs of the same age and source (96th percentile)

Citations

dimensions_citation
228 Dimensions

Readers on

mendeley
313 Mendeley
citeulike
2 CiteULike
Title
Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways
Published in
Nature Chemistry, December 2013
DOI 10.1038/nchem.1821
Pubmed ID
Authors

Kai J. Kohlhoff, Diwakar Shukla, Morgan Lawrenz, Gregory R. Bowman, David E. Konerding, Dan Belov, Russ B. Altman, Vijay S. Pande

Abstract

Simulations can provide tremendous insight into the atomistic details of biological mechanisms, but micro- to millisecond timescales are historically only accessible on dedicated supercomputers. We demonstrate that cloud computing is a viable alternative that brings long-timescale processes within reach of a broader community. We used Google's Exacycle cloud-computing platform to simulate two milliseconds of dynamics of a major drug target, the G-protein-coupled receptor β2AR. Markov state models aggregate independent simulations into a single statistical model that is validated by previous computational and experimental results. Moreover, our models provide an atomistic description of the activation of a G-protein-coupled receptor and reveal multiple activation pathways. Agonists and inverse agonists interact differentially with these pathways, with profound implications for drug design.

Twitter Demographics

The data shown below were collected from the profiles of 74 tweeters who shared this research output. Click here to find out more about how the information was compiled.

Mendeley readers

The data shown below were compiled from readership statistics for 313 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 14 4%
Germany 4 1%
United Kingdom 4 1%
China 3 <1%
Italy 2 <1%
Canada 2 <1%
Finland 1 <1%
Japan 1 <1%
Switzerland 1 <1%
Other 2 <1%
Unknown 279 89%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 104 33%
Researcher 88 28%
Student > Bachelor 32 10%
Student > Master 25 8%
Other 15 5%
Other 49 16%
Readers by discipline Count As %
Agricultural and Biological Sciences 87 28%
Chemistry 77 25%
Biochemistry, Genetics and Molecular Biology 36 12%
Physics and Astronomy 33 11%
Computer Science 17 5%
Other 63 20%

Attention Score in Context

This research output has an Altmetric Attention Score of 162. 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 13 October 2017.
All research outputs
#79,390
of 12,819,898 outputs
Outputs from Nature Chemistry
#40
of 2,134 outputs
Outputs of similar age
#1,359
of 246,586 outputs
Outputs of similar age from Nature Chemistry
#2
of 51 outputs
Altmetric has tracked 12,819,898 research outputs across all sources so far. Compared to these this one has done particularly well and is in the 99th percentile: it's in the top 5% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 2,134 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 29.1. This one has done particularly well, scoring higher than 98% 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 246,586 tracked outputs that were published within six weeks on either side of this one in any source. This one has done particularly well, scoring higher than 99% of its contemporaries.
We're also able to compare this research output to 51 others from the same source and published within six weeks on either side of this one. This one has done particularly well, scoring higher than 96% of its contemporaries.