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.
Main Authors: | Thomas Evangelidis, Santrupti Nerli, Jiří Nováček, Andrew E. Brereton, P. Andrew Karplus, Rochelle R. Dotas, Vincenzo Venditti, Nikolaos G. Sgourakis, Konstantinos Tripsianes |
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Format: | Article |
Language: | English |
Published: |
Nature Publishing Group
2018-01-01
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Series: | Nature Communications |
Online Access: | https://doi.org/10.1038/s41467-017-02592-z |
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