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Conformational Effects on the Circular Dichroism of Human Carbonic Anhydrase II: A Multilevel Computational Study

Overview of attention for article published in PLOS ONE, February 2013
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Title
Conformational Effects on the Circular Dichroism of Human Carbonic Anhydrase II: A Multilevel Computational Study
Published in
PLOS ONE, February 2013
DOI 10.1371/journal.pone.0056874
Pubmed ID
Authors

Tatyana G. Karabencheva-Christova, Uno Carlsson, Kia Balali-Mood, Gary W. Black, Christo Z. Christov

Abstract

Circular Dichroism (CD) spectroscopy is a powerful method for investigating conformational changes in proteins and therefore has numerous applications in structural and molecular biology. Here a computational investigation of the CD spectrum of the Human Carbonic Anhydrase II (HCAII), with main focus on the near-UV CD spectra of the wild-type enzyme and it seven tryptophan mutant forms, is presented and compared to experimental studies. Multilevel computational methods (Molecular Dynamics, Semiempirical Quantum Mechanics, Time-Dependent Density Functional Theory) were applied in order to gain insight into the mechanisms of interaction between the aromatic chromophores within the protein environment and understand how the conformational flexibility of the protein influences these mechanisms. The analysis suggests that combining CD semi empirical calculations, crystal structures and molecular dynamics (MD) could help in achieving a better agreement between the computed and experimental protein spectra and provide some unique insight into the dynamic nature of the mechanisms of chromophore interactions.

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Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 23 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 1 4%
Unknown 22 96%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 8 35%
Professor 3 13%
Researcher 3 13%
Student > Postgraduate 2 9%
Professor > Associate Professor 2 9%
Other 2 9%
Unknown 3 13%
Readers by discipline Count As %
Biochemistry, Genetics and Molecular Biology 7 30%
Chemistry 6 26%
Agricultural and Biological Sciences 5 22%
Physics and Astronomy 1 4%
Unknown 4 17%
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 26 March 2013.
All research outputs
#20,185,720
of 22,701,287 outputs
Outputs from PLOS ONE
#172,974
of 193,818 outputs
Outputs of similar age
#169,826
of 193,197 outputs
Outputs of similar age from PLOS ONE
#4,405
of 5,363 outputs
Altmetric has tracked 22,701,287 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.
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