About NMRtist


NMRtist is a cloud computing service for the fully automated analysis of protein NMR spectra (e.g. peak picking, chemical shift assignment, structure determination) using deep learning-based approaches. Each project created in NMRtist receives 30 GB of private storage, which can be filled by experimental data and analyzed using the available applications. You don't need to have any hardware resources or follow complex software configuration processes. NMRtist applications can be executed by just few mouse clicks in your web browser. All calculations are executed on NMRtist computational nodes, making the results available for download from NMRtist website.

ARTINA is a deep learning-based application for end-to-end protein structure determination by NMR spectroscopy. Using as input NMR spectra and the protein sequence, the method identifies automatically (strictly without any human intervention): cross-peak positions, chemical shift assignments, upper limit distance restraints, and the protein structure. ARTINA deep learning models have been trained with over 600 000 cross-peak examples from more than 1300 2D/3D/4D spectra. The method demonstrated its ability to solve structures with a median backbone RMSD of 1.44 Å to PDB reference, and identified correctly 91.36% of the chemical shift assignments.

You can use the NMRtist platform free-of-charge (academic users) to perform automated peak picking, shift assignment, or full structure determination. Create a free account to use all functions of the service, or start an anonymous project by pressing the button below.





Recommended articles



Getting started tutorial

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.

ARTINA

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.

Dictionary

The article explains the main concepts, terms and quantities present in the NMRtist system.



Examples of automatically determined structures



Orange - PDB deposition, Blue - structure determined automatically by ARTINA, using as input only NMR spectra and the protein sequence


News

Oct. 2, 2021, midnight

Biomolecular NMR: Advanced Tools workshop

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.

Oct. 19, 2022, midnight

Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA

Our manuscript, presenting the ARTINA workflow for rapid assignment and structure determination, has been published in Nature Communications (https://doi.org/10.1038/s41467-022-33879-5).

Dec. 20, 2022, midnight

ARTINA and NMRtist presented to the broader audience

Between 06.2022 and 01.2023, we presented ARTINA and NMRtist at several NMR events, including: Chianti Workshop (Principina Terra, Italy), EUROMAR (Utrecht, The Netherlands), EMBO Practical Course (Basel, Switzerland), EMBO Lecture Course (Berhampur, India), Biomolecular NMR: Advanced Tools, Machine Learning (Gothenburg, Sweden), and ICMRBS (Boston, USA).

Dec. 21, 2022, midnight

NMRtist usage

Since the release of the platform in February 2022, NMRtist analysed 4 368 2D/3D/4D NMR spectra, completed 1 100 automated chemical shift assignment and 444 automated structure determination jobs.



NMRtist © 2021