ARTINA

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. 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- 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

• ARTINA is available within the NMRtist online platform for automated biomolecular NMR spectra analysis. It is also available 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. NMRtist: an online platform for automated biomolecular NMR spectra analysis. Bioinformatics 39, btad066 (2023)

• 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)