Robust and highly accurate automatic NOESY assignment and structure determination with Rosetta
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F14%3A00077434" target="_blank" >RIV/00216224:14740/14:00077434 - isvavai.cz</a>
Result on the web
<a href="http://link.springer.com/article/10.1007%2Fs10858-014-9832-4" target="_blank" >http://link.springer.com/article/10.1007%2Fs10858-014-9832-4</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10858-014-9832-4" target="_blank" >10.1007/s10858-014-9832-4</a>
Alternative languages
Result language
angličtina
Original language name
Robust and highly accurate automatic NOESY assignment and structure determination with Rosetta
Original language description
We have developed a novel and robust approach for automatic and unsupervised simultaneous nuclear Overhauser effect (NOE) assignment and structure determination within the CS-Rosetta framework. Starting from unassigned peak lists and chemical shift assignments, autoNOE-Rosetta determines NOE cross-peak assignments and generates structural models. The approach tolerates incomplete and raw NOE peak lists as well as incomplete or partially incorrect chemical shift assignments, and its performance has beentested on 50 protein targets ranging from 50 to 200 residues in size. We find a significantly improved performance compared to established programs, particularly for larger proteins and for NOE data obtained on perdeuterated protein samples. X-ray crystallographic structures allowed comparison of Rosetta and conventional, PDB-deposited, NMR models in 20 of 50 test cases.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CE - Biochemistry
OECD FORD branch
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Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Biomolecular NMR
ISSN
0925-2738
e-ISSN
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Volume of the periodical
59
Issue of the periodical within the volume
3
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
11
Pages from-to
135-145
UT code for WoS article
000338316800001
EID of the result in the Scopus database
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