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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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
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author Klukowski, Piotr
Riek, Roland
Güntert, Peter
author_facet Klukowski, Piotr
Riek, Roland
Güntert, Peter
author_sort Klukowski, Piotr
collection PubMed
description 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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spelling pubmed-99130442023-02-13 NMRtist: an online platform for automated biomolecular NMR spectra analysis Klukowski, Piotr Riek, Roland Güntert, Peter Bioinformatics Applications Note 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. Oxford University Press 2023-02-01 /pmc/articles/PMC9913044/ /pubmed/36723167 http://dx.doi.org/10.1093/bioinformatics/btad066 Text en © The Author(s) 2023. Published by Oxford University Press. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Applications Note
Klukowski, Piotr
Riek, Roland
Güntert, Peter
NMRtist: an online platform for automated biomolecular NMR spectra analysis
title NMRtist: an online platform for automated biomolecular NMR spectra analysis
title_full NMRtist: an online platform for automated biomolecular NMR spectra analysis
title_fullStr NMRtist: an online platform for automated biomolecular NMR spectra analysis
title_full_unstemmed NMRtist: an online platform for automated biomolecular NMR spectra analysis
title_short NMRtist: an online platform for automated biomolecular NMR spectra analysis
title_sort nmrtist: an online platform for automated biomolecular nmr spectra analysis
topic Applications Note
url 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
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