NMRtist: an online platform for automated biomolecular NMR spectra analysis

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,...

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Detalles Bibliográficos
Autores principales: Klukowski, Piotr, Riek, Roland, Güntert, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Applications Note
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9913044/
https://www.ncbi.nlm.nih.gov/pubmed/36723167
http://dx.doi.org/10.1093/bioinformatics/btad066
Descripción
Sumario: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.

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