6-12 avr. 2021 En ligne (France)
ARIAweb: a server for automated NMR structure calculation
Fabrice Allain  1@  , Fabien Mareuil  2@  , Hervé Ménager  2@  , Michael Nilges  1@  , Benjamin Bardiaux  1@  
1 : Unité de Bioinformatique Structurale  -  Site web
Institut Pasteur [Paris], CNRS : UMR3528
Département de Biologie structurale et Chimie, 25-28, rue du Docteur Roux - 75724 Paris Cedex 15 -  France
2 : Hub Bioinformatique et Biostatistique  -  Site web
Institut Pasteur [Paris], CNRS : USR3756
Département de Biologie Computationnelle 25-28 rue du docteur Roux, 75724 Paris cedex 15 -  France

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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