The Library
Bayesian inference assessment of protein secondary structure analysis using circular dichroism data – how much structural information is contained in protein circular dichroism spectra?
Tools
Spencer, Simon E. F., Franco, Jacopo and Rodger, Alison (2021) Bayesian inference assessment of protein secondary structure analysis using circular dichroism data – how much structural information is contained in protein circular dichroism spectra? Analytical Methods, 13 (3). pp. 359-368. doi:10.1039/D0AY01645D ISSN 1759-9660.
|
PDF
WRAP-Bayesian-inference-protein-secondary-circular-dichroism-data-Spencer-2020.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution Non-commercial. Download (663Kb) | Preview |
|
PDF
WRAP-Bayesian-inference-protein-secondary-circular-dichroism-data-Spencer-2020.pdf - Accepted Version Embargoed item. Restricted access to Repository staff only - Requires a PDF viewer. Download (3125Kb) |
Official URL: https://doi.org/10.1039/D0AY01645D
Abstract
Circular dichroism spectroscopy is an important tool for determining the structural characteristics of biomolecules, particularly the secondary structure of proteins. In this paper we propose a Bayesian model that estimates the covariance structure within a measured spectrum and quantifies the uncertainty associated with the inferred secondary structures and characteristic spectra associated with each secondary structure type. Furthermore, we used tools from Bayesian model selection to determine the best secondary structure classification scheme and illustrate a technique for comparing whether or not two or more measured protein spectra share the same secondary structure. Our findings suggest that it is not possible to identify more than 3 distinct secondary structure classes from CD spectra above 175 nm. The inclusion of data from wavelengths between 175 and 200 nm did not substantially affect the ability to determine secondary structure fractions.
Item Type: | Journal Article | ||||||||
---|---|---|---|---|---|---|---|---|---|
Subjects: | Q Science > QP Physiology | ||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Statistics | ||||||||
Library of Congress Subject Headings (LCSH): | Circular dichroism , Proteins -- Spectra, Analytical biochemistry , Proteins -- Spectra -- Statistical methods | ||||||||
Journal or Publication Title: | Analytical Methods | ||||||||
Publisher: | Royal Society of Chemistry | ||||||||
ISSN: | 1759-9660 | ||||||||
Official Date: | 21 January 2021 | ||||||||
Dates: |
|
||||||||
Volume: | 13 | ||||||||
Number: | 3 | ||||||||
Page Range: | pp. 359-368 | ||||||||
DOI: | 10.1039/D0AY01645D | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||
Date of first compliant deposit: | 9 November 2020 | ||||||||
Date of first compliant Open Access: | 16 December 2020 | ||||||||
RIOXX Funder/Project Grant: |
|
||||||||
Related URLs: |
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |
Downloads
Downloads per month over past year