ARTINA: Difference between revisions

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Using only NMR spectra and the protein sequence as input, ARTINA delivers signal positions, resonance assignments, and structures strictly without human intervention. Tested on a 100-protein benchmark comprising 1329 multidimensional NMR spectra, ARTINA demonstrated its ability to solve structures with 1.44 Å median RMSD to the PDB reference and to identify 91.36% correct NMR resonance assign-
Using only NMR spectra and the protein sequence as input, ARTINA delivers signal positions, resonance assignments, and structures strictly without human intervention. ARTINA can be used by non-experts, reducing the effort for a protein assignment or structure determination by NMR essentially to the preparation of the sample and the spectra measurements.
ments. ARTINA can be used by non-experts, reducing the effort for a protein assignment or structure determination by NMR essentially to the preparation of the sample and the spectra measurements.


== Availability ==
== Availability ==


* ARTINA is available within the [https://nmrtist.org/ NMRtist] online platform for automated biomolecular NMR spectra analysis. It is also available within [https://nmrtist.bruker.com/ NMRtist @ Bruker].
* ARTINA is available within the [https://nmrtist.org/ NMRtist] online platform for automated biomolecular NMR spectra analysis and within [https://nmrtist.bruker.com/ NMRtist@Bruker].


== References ==
== References ==

Latest revision as of 11:18, 25 January 2026

Artificial intelligence for NMR applications


Using only NMR spectra and the protein sequence as input, ARTINA delivers signal positions, resonance assignments, and structures strictly without human intervention. ARTINA can be used by non-experts, reducing the effort for a protein assignment or structure determination by NMR essentially to the preparation of the sample and the spectra measurements.

Availability

  • ARTINA is available within the NMRtist online platform for automated biomolecular NMR spectra analysis and within NMRtist@Bruker.

References

  • Klukowski, P., Riek, R. & Güntert, P. Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA. Nat. Commun. 13, 6151 (2022)
  • Klukowski, P., Riek, R. & Güntert, P. Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction. Sci. Adv. 9, eadi9323 (2023)