Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra

Further automation of NMR structure determination is needed to increase the throughput and accessibility of this method. Here the authors present 4D-CHAINS/autoNOE-Rosetta, a complete pipeline that allows rapid and fully automated structure determination from two highly complementary NMR datasets.

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Autores principales:	Thomas Evangelidis, Santrupti Nerli, Jiří Nováček, Andrew E. Brereton, P. Andrew Karplus, Rochelle R. Dotas, Vincenzo Venditti, Nikolaos G. Sgourakis, Konstantinos Tripsianes
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/da44ac29a8c6451eba4c6afcde1322d3
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spelling	oai:doaj.org-article:da44ac29a8c6451eba4c6afcde1322d32021-12-02T16:49:53ZAutomated NMR resonance assignments and structure determination using a minimal set of 4D spectra10.1038/s41467-017-02592-z2041-1723https://doaj.org/article/da44ac29a8c6451eba4c6afcde1322d32018-01-01T00:00:00Zhttps://doi.org/10.1038/s41467-017-02592-zhttps://doaj.org/toc/2041-1723Further automation of NMR structure determination is needed to increase the throughput and accessibility of this method. Here the authors present 4D-CHAINS/autoNOE-Rosetta, a complete pipeline that allows rapid and fully automated structure determination from two highly complementary NMR datasets.Thomas EvangelidisSantrupti NerliJiří NováčekAndrew E. BreretonP. Andrew KarplusRochelle R. DotasVincenzo VendittiNikolaos G. SgourakisKonstantinos TripsianesNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-13 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Thomas Evangelidis Santrupti Nerli Jiří Nováček Andrew E. Brereton P. Andrew Karplus Rochelle R. Dotas Vincenzo Venditti Nikolaos G. Sgourakis Konstantinos Tripsianes Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
description	Further automation of NMR structure determination is needed to increase the throughput and accessibility of this method. Here the authors present 4D-CHAINS/autoNOE-Rosetta, a complete pipeline that allows rapid and fully automated structure determination from two highly complementary NMR datasets.
format	article
author	Thomas Evangelidis Santrupti Nerli Jiří Nováček Andrew E. Brereton P. Andrew Karplus Rochelle R. Dotas Vincenzo Venditti Nikolaos G. Sgourakis Konstantinos Tripsianes
author_facet	Thomas Evangelidis Santrupti Nerli Jiří Nováček Andrew E. Brereton P. Andrew Karplus Rochelle R. Dotas Vincenzo Venditti Nikolaos G. Sgourakis Konstantinos Tripsianes
author_sort	Thomas Evangelidis
title	Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
title_short	Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
title_full	Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
title_fullStr	Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
title_full_unstemmed	Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra
title_sort	automated nmr resonance assignments and structure determination using a minimal set of 4d spectra
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/da44ac29a8c6451eba4c6afcde1322d3
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Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra

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