ARIAweb: a server for automated NMR structure calculation

Nuclear magnetic resonance (NMR) spectroscopy is a method of choice to study the dynamics and determine the atomic structure of macromolecules in solution. The standalone program ARIA (Ambiguous Restraints for Iterative Assignment) for automated assignment of nuclear Overhauser enhancement (NOE) dat...

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Autores principales: Allain, Fabrice, Mareuil, Fabien, Ménager, Hervé, Nilges, Michael, Bardiaux, Benjamin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Web Server Issue
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7319541/
https://www.ncbi.nlm.nih.gov/pubmed/32383755
http://dx.doi.org/10.1093/nar/gkaa362
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author Allain, Fabrice
Mareuil, Fabien
Ménager, Hervé
Nilges, Michael
Bardiaux, Benjamin
author_facet Allain, Fabrice
Mareuil, Fabien
Ménager, Hervé
Nilges, Michael
Bardiaux, Benjamin
author_sort Allain, Fabrice
collection PubMed
description Nuclear magnetic resonance (NMR) spectroscopy is a method of choice to study the dynamics and determine the atomic structure of macromolecules in solution. The standalone program ARIA (Ambiguous Restraints for Iterative Assignment) for automated assignment of nuclear Overhauser enhancement (NOE) data and structure calculation is well established in the NMR community. To ultimately provide a perfectly transparent and easy to use service, we designed an online user interface to ARIA with additional functionalities. Data conversion, structure calculation setup and execution, followed by interactive visualization of the generated 3D structures are all integrated in ARIAweb and freely accessible at https://ariaweb.pasteur.fr.
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spelling pubmed-73195412020-07-01 ARIAweb: a server for automated NMR structure calculation Allain, Fabrice Mareuil, Fabien Ménager, Hervé Nilges, Michael Bardiaux, Benjamin Nucleic Acids Res Web Server Issue Nuclear magnetic resonance (NMR) spectroscopy is a method of choice to study the dynamics and determine the atomic structure of macromolecules in solution. The standalone program ARIA (Ambiguous Restraints for Iterative Assignment) for automated assignment of nuclear Overhauser enhancement (NOE) data and structure calculation is well established in the NMR community. To ultimately provide a perfectly transparent and easy to use service, we designed an online user interface to ARIA with additional functionalities. Data conversion, structure calculation setup and execution, followed by interactive visualization of the generated 3D structures are all integrated in ARIAweb and freely accessible at https://ariaweb.pasteur.fr. Oxford University Press 2020-07-02 2020-05-08 /pmc/articles/PMC7319541/ /pubmed/32383755 http://dx.doi.org/10.1093/nar/gkaa362 Text en © The Author(s) 2020. Published by Oxford University Press on behalf of Nucleic Acids Research. http://creativecommons.org/licenses/by-nc/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com
spellingShingle Web Server Issue
Allain, Fabrice
Mareuil, Fabien
Ménager, Hervé
Nilges, Michael
Bardiaux, Benjamin
ARIAweb: a server for automated NMR structure calculation
title ARIAweb: a server for automated NMR structure calculation
title_full ARIAweb: a server for automated NMR structure calculation
title_fullStr ARIAweb: a server for automated NMR structure calculation
title_full_unstemmed ARIAweb: a server for automated NMR structure calculation
title_short ARIAweb: a server for automated NMR structure calculation
title_sort ariaweb: a server for automated nmr structure calculation
topic Web Server Issue
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7319541/
https://www.ncbi.nlm.nih.gov/pubmed/32383755
http://dx.doi.org/10.1093/nar/gkaa362
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AT mareuilfabien ariawebaserverforautomatednmrstructurecalculation
AT menagerherve ariawebaserverforautomatednmrstructurecalculation
AT nilgesmichael ariawebaserverforautomatednmrstructurecalculation
AT bardiauxbenjamin ariawebaserverforautomatednmrstructurecalculation

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