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NMRtist: an online platform for automated biomolecular NMR spectra analysis.

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.

SUBMITTER: Klukowski P

PROVIDER: S-EPMC9913044 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature

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NMRtist: an online platform for automated biomolecular NMR spectra analysis.

Klukowski Piotr P Riek Roland R Güntert Peter P

Bioinformatics (Oxford, England) 20230201 2

<h4>Summary</h4>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 measu ...[more]

PMID: 36723167

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