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

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
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Acceso en línea:https://doaj.org/article/da44ac29a8c6451eba4c6afcde1322d3
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