ARIAweb: a server for automated NMR structure calculation

Author:

Allain Fabrice1,Mareuil Fabien2,Ménager Hervé2,Nilges Michael1,Bardiaux Benjamin1ORCID

Affiliation:

1. Structural Bioinformatics Unit, Department of Structural Biology and Chemistry, CNRS UMR 3528, Institut Pasteur, Paris, 75015, France

2. Bioinformatics and Biostatistics Hub, Department of Computational Biology, CNRS USR 3756, Institut Pasteur, Paris, 75015, France

Abstract

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.

Funder

French Institute of Bioinformatics

INCEPTION project

European Union

Publisher

Oxford University Press (OUP)

Subject

Genetics

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