DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data

Motivation: Small angle X-ray scattering (SAXS) is an established method for studying biological macromolecules in solution, whereby the experimental scattering patterns relate to the quaternary and tertiary structure of the macromolecule. Here we present DARA, a web-server, that queries over 150 00...

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Detalles Bibliográficos
Autores principales: Kikhney, Alexey G., Panjkovich, Alejandro, Sokolova, Anna V., Svergun, Dmitri I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2016
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4743626/
https://www.ncbi.nlm.nih.gov/pubmed/26504146
http://dx.doi.org/10.1093/bioinformatics/btv611
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author Kikhney, Alexey G.
Panjkovich, Alejandro
Sokolova, Anna V.
Svergun, Dmitri I.
author_facet Kikhney, Alexey G.
Panjkovich, Alejandro
Sokolova, Anna V.
Svergun, Dmitri I.
author_sort Kikhney, Alexey G.
collection PubMed
description Motivation: Small angle X-ray scattering (SAXS) is an established method for studying biological macromolecules in solution, whereby the experimental scattering patterns relate to the quaternary and tertiary structure of the macromolecule. Here we present DARA, a web-server, that queries over 150 000 scattering profiles pre-computed from the high resolution models of macromolecules and biological assemblies in the Protein Data Bank, to rapidly find nearest neighbours of a given experimental or theoretical SAXS pattern. Identification of the best scattering equivalents provides a straightforward and automated way of structural assessment of macromolecules based on a SAXS profile. DARA results are useful e.g. for fold recognition and finding of biologically active oligomers. Availability and implementation: http://dara.embl-hamburg.de/ Contact: svergun@embl-hamburg.de
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spelling pubmed-47436262016-02-08 DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data Kikhney, Alexey G. Panjkovich, Alejandro Sokolova, Anna V. Svergun, Dmitri I. Bioinformatics Applications Notes Motivation: Small angle X-ray scattering (SAXS) is an established method for studying biological macromolecules in solution, whereby the experimental scattering patterns relate to the quaternary and tertiary structure of the macromolecule. Here we present DARA, a web-server, that queries over 150 000 scattering profiles pre-computed from the high resolution models of macromolecules and biological assemblies in the Protein Data Bank, to rapidly find nearest neighbours of a given experimental or theoretical SAXS pattern. Identification of the best scattering equivalents provides a straightforward and automated way of structural assessment of macromolecules based on a SAXS profile. DARA results are useful e.g. for fold recognition and finding of biologically active oligomers. Availability and implementation: http://dara.embl-hamburg.de/ Contact: svergun@embl-hamburg.de Oxford University Press 2016-02-15 2015-10-25 /pmc/articles/PMC4743626/ /pubmed/26504146 http://dx.doi.org/10.1093/bioinformatics/btv611 Text en © The Author 2015. Published by Oxford University Press. http://creativecommons.org/licenses/by/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Applications Notes
Kikhney, Alexey G.
Panjkovich, Alejandro
Sokolova, Anna V.
Svergun, Dmitri I.
DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data
title DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data
title_full DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data
title_fullStr DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data
title_full_unstemmed DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data
title_short DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data
title_sort dara: a web server for rapid search of structural neighbours using solution small angle x-ray scattering data
topic Applications Notes
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4743626/
https://www.ncbi.nlm.nih.gov/pubmed/26504146
http://dx.doi.org/10.1093/bioinformatics/btv611
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