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Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory

Overview of attention for article published in Journal of the Chemical Society, Faraday Transactions, January 2015
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Title
Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory
Published in
Journal of the Chemical Society, Faraday Transactions, January 2015
DOI 10.1039/c5cp02481a
Pubmed ID
Authors

Patrick Norman, Joseph Parello, Prasad L. Polavarapu, Mathieu Linares

Abstract

It is demonstrated that time-dependent density functional theory (DFT) calculations can accurately predict changes in near-UV electronic circular dichroism (ECD) spectra of DNA as the structure is altered from the linear (free) B-DNA form to the supercoiled N-DNA form found in nucleosome core particles. At the DFT/B3LYP level of theory, the ECD signal response is reduced by a factor of 6.7 in going from the B-DNA to the N-DNA form, and it is illustrated how more than 90% of the individual base-pair dimers contribute to this strong hypochromic effect. Of the several inter-base pair parameters, an increase in twist angles is identified as to strongly contribute to a reduced ellipticity. The present work provides first evidence that first-principles calculations can elucidate changes in DNA dichroism due to the supramolecular organization of the nucleoprotein particle and associates these changes with the local structural features of nucleosomal DNA.

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Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 19 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
India 1 5%
Sweden 1 5%
Unknown 17 89%

Demographic breakdown

Readers by professional status Count As %
Researcher 6 32%
Student > Ph. D. Student 3 16%
Student > Master 2 11%
Student > Bachelor 1 5%
Student > Doctoral Student 1 5%
Other 2 11%
Unknown 4 21%
Readers by discipline Count As %
Chemistry 12 63%
Agricultural and Biological Sciences 1 5%
Physics and Astronomy 1 5%
Engineering 1 5%
Unknown 4 21%
Attention Score in Context

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 21 May 2016.
All research outputs
#20,254,701
of 25,756,911 outputs
Outputs from Journal of the Chemical Society, Faraday Transactions
#9,162
of 17,201 outputs
Outputs of similar age
#254,895
of 361,654 outputs
Outputs of similar age from Journal of the Chemical Society, Faraday Transactions
#477
of 786 outputs
Altmetric has tracked 25,756,911 research outputs across all sources so far. This one is in the 18th percentile – i.e., 18% of other outputs scored the same or lower than it.
So far Altmetric has tracked 17,201 research outputs from this source. They receive a mean Attention Score of 2.5. This one is in the 41st percentile – i.e., 41% 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 361,654 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 25th percentile – i.e., 25% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 786 others from the same source and published within six weeks on either side of this one. This one is in the 35th percentile – i.e., 35% of its contemporaries scored the same or lower than it.