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ARIAweb: a server for automated NMR structure calculation

Abstract : Nuclear magnetic resonance (NMR) spectroscopy is a method of choice to study the dynamics and de- termine the atomic structure of macromolecules in solution. The standalone program ARIA (Ambigu- ous Restraints for Iterative Assignment) for auto- mated assignment of nuclear Overhauser enhance- ment (NOE) data and structure calculation is well es- tablished in the NMR community. To ultimately pro- vide 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 inter- active visualization of the generated 3D structures are all integrated in ARIAweb and freely accessible at https://ariaweb.pasteur.fr.
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https://hal-pasteur.archives-ouvertes.fr/pasteur-02569631
Contributor : Benjamin Bardiaux <>
Submitted on : Monday, May 11, 2020 - 2:49:36 PM
Last modification on : Friday, June 19, 2020 - 11:04:02 AM

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Fabrice Allain, Fabien Mareuil, Hervé Ménager, Michael Nilges, Benjamin Bardiaux. ARIAweb: a server for automated NMR structure calculation. Nucleic Acids Research, Oxford University Press, 2020, ⟨10.1093/nar/gkaa362⟩. ⟨pasteur-02569631⟩

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