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Molecular dynamics simulations and drug discovery

Overview of attention for article published in BMC Biology, October 2011
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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 (97th percentile)
  • High Attention Score compared to outputs of the same age and source (97th percentile)

Citations

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688 Dimensions

Readers on

mendeley
1245 Mendeley
citeulike
3 CiteULike
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Title
Molecular dynamics simulations and drug discovery
Published in
BMC Biology, October 2011
DOI 10.1186/1741-7007-9-71
Pubmed ID
Authors

Jacob D Durrant, J Andrew McCammon

Abstract

This review discusses the many roles atomistic computer simulations of macromolecular (for example, protein) receptors and their associated small-molecule ligands can play in drug discovery, including the identification of cryptic or allosteric binding sites, the enhancement of traditional virtual-screening methodologies, and the direct prediction of small-molecule binding energies. The limitations of current simulation methodologies, including the high computational costs and approximations of molecular forces required, are also discussed. With constant improvements in both computer power and algorithm design, the future of computer-aided drug design is promising; molecular dynamics simulations are likely to play an increasingly important role.

Twitter Demographics

The data shown below were collected from the profiles of 14 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 1,245 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 13 1%
United Kingdom 12 <1%
Germany 6 <1%
Brazil 4 <1%
Italy 3 <1%
Canada 3 <1%
India 3 <1%
France 2 <1%
Norway 2 <1%
Other 21 2%
Unknown 1176 94%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 330 27%
Student > Master 178 14%
Student > Bachelor 158 13%
Researcher 155 12%
Student > Doctoral Student 68 5%
Other 160 13%
Unknown 196 16%
Readers by discipline Count As %
Chemistry 309 25%
Agricultural and Biological Sciences 215 17%
Biochemistry, Genetics and Molecular Biology 192 15%
Pharmacology, Toxicology and Pharmaceutical Science 57 5%
Engineering 53 4%
Other 176 14%
Unknown 243 20%

Attention Score in Context

This research output has an Altmetric Attention Score of 48. 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 02 September 2022.
All research outputs
#726,315
of 22,382,868 outputs
Outputs from BMC Biology
#182
of 1,949 outputs
Outputs of similar age
#3,086
of 133,075 outputs
Outputs of similar age from BMC Biology
#2
of 68 outputs
Altmetric has tracked 22,382,868 research outputs across all sources so far. Compared to these this one has done particularly well and is in the 96th percentile: it's in the top 5% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 1,949 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 21.6. This one has done particularly well, scoring higher than 90% 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 133,075 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 97% of its contemporaries.
We're also able to compare this research output to 68 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 97% of its contemporaries.