1. NMRtist: an online platform for automated biomolecular NMR spectra analysis.
- Author
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Klukowski, Piotr, Riek, Roland, and Güntert, Peter
- Subjects
SPECTRUM analysis ,INTERNET servers ,CHEMICAL shift (Nuclear magnetic resonance) ,PROTEIN structure ,DEEP learning ,CLOUD computing - Abstract
Summary 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. Availability and implementation NMRtist is freely available to non-commercial users at https://nmrtist.org. Supplementary information Supplementary data are available at Bioinformatics online. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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