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.

New update (27.03.2023) We've added support for additional file types: (a) manual peak lists (*.list, *.peaks), (b) chemical shift lists (*.prot), (c) chemical shift statistics (*.stats), (c) lower/upper distance restraints (*.lol/*.upl), (d) Talos angle restraints (*.aco), and (e) protein structure (*.pdb). With this new release, all of these files can be uploaded to the project storage and used as inputs for the applications.

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.