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X Demographics
Mendeley readers
Attention Score in Context
| Title |
Fast Docking on Graphics Processing Units via Ray-Casting
|
|---|---|
| Published in |
PLOS ONE, August 2013
|
| DOI | 10.1371/journal.pone.0070661 |
| Pubmed ID | |
| Authors |
Karen R. Khar, Lukasz Goldschmidt, John Karanicolas |
| Abstract |
Docking Approach using Ray Casting (DARC) is structure-based computational method for carrying out virtual screening by docking small-molecules into protein surface pockets. In a complementary study we find that DARC can be used to identify known inhibitors from large sets of decoy compounds, and can identify new compounds that are active in biochemical assays. Here, we describe our adaptation of DARC for use on Graphics Processing Units (GPUs), leading to a speedup of approximately 27-fold in typical-use cases over the corresponding calculations carried out using a CPU alone. This dramatic speedup of DARC will enable screening larger compound libraries, screening with more conformations of each compound, and including multiple receptor conformations when screening. We anticipate that all three of these enhanced approaches, which now become tractable, will lead to improved screening results. |
X Demographics
The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United States | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 41 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Germany | 2 | 5% |
| Norway | 1 | 2% |
| Canada | 1 | 2% |
| Japan | 1 | 2% |
| United States | 1 | 2% |
| Unknown | 35 | 85% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 10 | 24% |
| Researcher | 10 | 24% |
| Student > Bachelor | 7 | 17% |
| Student > Master | 6 | 15% |
| Professor | 3 | 7% |
| Other | 5 | 12% |
| Readers by discipline | Count | As % |
|---|---|---|
| Biochemistry, Genetics and Molecular Biology | 10 | 24% |
| Agricultural and Biological Sciences | 8 | 20% |
| Engineering | 6 | 15% |
| Chemistry | 6 | 15% |
| Computer Science | 5 | 12% |
| Other | 6 | 15% |
Attention Score in Context
This research output has an Altmetric Attention Score of 1. 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 18 August 2013.
All research outputs
#20,198,525
of 22,716,996 outputs
Outputs from PLOS ONE
#173,074
of 193,928 outputs
Outputs of similar age
#153,711
of 175,522 outputs
Outputs of similar age from PLOS ONE
#4,112
of 4,750 outputs
Altmetric has tracked 22,716,996 research outputs across all sources so far. This one is in the 1st percentile – i.e., 1% of other outputs scored the same or lower than it.
So far Altmetric has tracked 193,928 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 15.0. This one is in the 1st percentile – i.e., 1% of its peers scored the same or lower than it.
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 175,522 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 1st percentile – i.e., 1% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 4,750 others from the same source and published within six weeks on either side of this one. This one is in the 1st percentile – i.e., 1% of its contemporaries scored the same or lower than it.