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ARIAweb: a server for automated NMR structure calculation

Authors :
Michael Nilges
Hervé Ménager
Benjamin Bardiaux
Fabrice Allain
Fabien Mareuil
Bioinformatique structurale - Structural Bioinformatics
Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS)
Hub Bioinformatique et Biostatistique - Bioinformatics and Biostatistics HUB
French Institute of Bioinformatics (IFB) [ANR-11-INBS- 0013]
INCEPTION project [PIA/ANR-16-CONV-0005]
European Union [FP7-IDEAS-ERC 294809 to M.N.]. Funding for open access charge: Institut Pasteur, Paris.
ANR-11-INBS-0013,IFB (ex Renabi-IFB),Institut français de bioinformatique(2011)
ANR-16-CONV-0005,INCEPTION,Institut Convergences pour l'étude de l'Emergence des Pathologies au Travers des Individus et des populatiONs(2016)
European Project: 294809,EC:FP7:ERC,ERC-2011-ADG_20110310,BAYCELLS(2012)
Centre National de la Recherche Scientifique (CNRS)-Institut Pasteur [Paris]
Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS)
Source :
Nucleic Acids Research, Nucleic Acids Research, 2020, ⟨10.1093/nar/gkaa362⟩, Nucleic Acids Research, Oxford University Press, 2020, ⟨10.1093/nar/gkaa362⟩
Publication Year :
2020
Publisher :
Oxford University Press (OUP), 2020.

Abstract

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.

Details

ISSN :
13624962 and 03051048
Volume :
48
Database :
OpenAIRE
Journal :
Nucleic Acids Research
Accession number :
edsair.doi.dedup.....6f83e2b4bb84b27e6f1d25c44343ebba