NMRtist: an online platform for automated biomolecular NMR spectra analysis.
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Abstract
We present NMRtist, an online platform that combines deep learning, large-scale optimization, and cloud computing to automate protein NMR spectra analysis. Our website provides virtual storage for NMR spectra deposition together with a set of applications designed for automated peak picking, chemical shift assignment, and protein structure determination. The system can be used by non-experts and allows protein assignments and structures to be determined within hours after the measurements, strictly without any human intervention.NMRtist is freely available to non-commercial users at https://nmrtist.org.Supplementary data are available at Bioinformatics online.© The Author(s) 2023. Published by Oxford University Press.