ARIAweb: a server for automated NMR structure calculation

Fabrice Allain; Fabien Mareuil; Hervé Ménager; Michael Nilges; Benjamin Bardiaux

doi:10.1093/nar/gkaa362

ARIAweb: a server for automated NMR structure calculation

Nucleic Acids Res. 2020 Jul 2;48(W1):W41-W47. doi: 10.1093/nar/gkaa362.

Authors

Fabrice Allain¹, Fabien Mareuil², Hervé Ménager², Michael Nilges¹, Benjamin Bardiaux¹

Affiliations

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

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Animals
Humans
Mice
Models, Molecular
Nuclear Magnetic Resonance, Biomolecular*
Proteins / chemistry*
RNA / chemistry
Software*

Substances

Proteins
RNA