Publications

• Main manuscript that describes ARTINA method for automated chemical shift assignment and structure determination:
  Klukowski, P., Riek, R. & Güntert, P. Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA (2022). Nature Communications 13, 6151. [REF]
• NMRtist online platform that hosts ARTINA with computational resources available to non-commercial users:
  Klukowski, P., Riek, R. & Güntert, P. NMRtist: an online platform for automated biomolecular NMR spectra analysis, Bioinformatics, 2023. [REF]

• Structure based assignment and ARTINA integration with AlphaFold:
  Klukowski, P., Riek, R. & Güntert, P. Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction, Science Advances, 2023. [REF]
• Open dataset containing 1329 2D-4D NMR spectra that allow the reproduction of 100 protein structures from original measurements. The dataset has been used for the development of ARTINA:
  Klukowski, P. et al. The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis, Scientific Data, 2024. [REF]

• Klukowski, P., Augoff, M., Zięba, M., Drwal, M., Gonczarek, A., & Walczak, M. J. (2018). NMRNet: a deep learning approach to automated peak picking of protein NMR spectra. Bioinformatics, 34, 2590-2597.
• Schmidt, E., & Güntert, P. (2012). A new algorithm for reliable and general NMR resonance assignment. Journal of the American Chemical Society, 134, 12817-12829.
• Güntert, P. & Buchner, L. (2015). Combined automated NOE assignment and structure calculation with CYANA. J. Biomol. NMR 62, 453-471.
• Güntert, P., Mumenthaler, C. & Wüthrich, K. (1997). Torsion angle dynamics for NMR structure calculation with the new program DYANA. J. Mol. Biol. 273, 283-298.

Acknowledgements

2020-2022: ARTINA had support from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 891690.