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Sampling molecular conformations and dynamics in a multiuser virtual reality framework

Overview of attention for article published in Science Advances, June 2018
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About this Attention Score

  • In the top 5% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (99th percentile)
  • High Attention Score compared to outputs of the same age and source (85th percentile)

Mentioned by

news
10 news outlets
blogs
7 blogs
twitter
160 tweeters
facebook
1 Facebook page
googleplus
6 Google+ users
video
1 video uploader

Citations

dimensions_citation
7 Dimensions

Readers on

mendeley
70 Mendeley
Title
Sampling molecular conformations and dynamics in a multiuser virtual reality framework
Published in
Science Advances, June 2018
DOI 10.1126/sciadv.aat2731
Pubmed ID
Authors

Michael O’Connor, Helen M. Deeks, Edward Dawn, Oussama Metatla, Anne Roudaut, Matthew Sutton, Lisa May Thomas, Becca Rose Glowacki, Rebecca Sage, Philip Tew, Mark Wonnacott, Phil Bates, Adrian J. Mulholland, David R. Glowacki

Abstract

We describe a framework for interactive molecular dynamics in a multiuser virtual reality (VR) environment, combining rigorous cloud-mounted atomistic physics simulations with commodity VR hardware, which we have made accessible to readers (see isci.itch.io/nsb-imd). It allows users to visualize and sample, with atomic-level precision, the structures and dynamics of complex molecular structures "on the fly" and to interact with other users in the same virtual environment. A series of controlled studies, in which participants were tasked with a range of molecular manipulation goals (threading methane through a nanotube, changing helical screw sense, and tying a protein knot), quantitatively demonstrate that users within the interactive VR environment can complete sophisticated molecular modeling tasks more quickly than they can using conventional interfaces, especially for molecular pathways and structural transitions whose conformational choreographies are intrinsically three-dimensional. This framework should accelerate progress in nanoscale molecular engineering areas including conformational mapping, drug development, synthetic biology, and catalyst design. More broadly, our findings highlight the potential of VR in scientific domains where three-dimensional dynamics matter, spanning research and education.

Twitter Demographics

The data shown below were collected from the profiles of 160 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 70 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 70 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 22 31%
Researcher 16 23%
Unspecified 6 9%
Student > Bachelor 6 9%
Student > Master 5 7%
Other 15 21%
Readers by discipline Count As %
Chemistry 22 31%
Unspecified 11 16%
Physics and Astronomy 7 10%
Computer Science 6 9%
Biochemistry, Genetics and Molecular Biology 5 7%
Other 19 27%

Attention Score in Context

This research output has an Altmetric Attention Score of 229. 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 19 April 2019.
All research outputs
#51,594
of 12,963,942 outputs
Outputs from Science Advances
#381
of 2,863 outputs
Outputs of similar age
#2,556
of 269,271 outputs
Outputs of similar age from Science Advances
#36
of 246 outputs
Altmetric has tracked 12,963,942 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 2,863 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 125.7. This one has done well, scoring higher than 86% 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 269,271 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 246 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 85% of its contemporaries.