This tutorial presents the first steps in the NMRtist system. It guides through account and project creation, data upload, and submission of an exemplary structure calculation job. You can go through the tutorial with your own data, or use one of our example datasets. We highly recommend doing this tutorial before making the first application call.
Artificial Intelligence for NMR Applications (ARTINA) is a deep learning-based approach to fully automated NMR protein structure determination. The method takes as input only NMR spectra and the protein sequence, and delivers automatically: peak lists, shift assignments, distance restraints, and the structure.
The article explains the main concepts, terms and quantities present in the NMRtist system.
Oct. 4, 2021, 11:46 a.m.
NMRtist was presented at the Biomolecular NMR: Advanced Tools workshop (29.09-01.10 2021). All participants of the training, supervised by Prof. Peter Güntert and Dr. Piotr Klukowski, submitted datasets to the platform, obtaining automatically determined structures and/or assignments.