Startseite
English
Erweiterte Suche
Durchblättern nach ...
Publikationen im Überblick
Ansprechpartner
Hilfe
DOI
PMC
 |
|
Open Access Green möglich sobald Postprint bei der ZB eingereicht worden ist.
Automatic NOESY assignment in CS-RASREC-Rosetta.
J. Biomol. NMR 59, 147-159 (2014)
We have developed an approach for simultaneous structure calculation and automatic Nuclear Overhauser Effect (NOE) assignment to solve nuclear magnetic resonance (NMR) structures from unassigned NOESY data. The approach, autoNOE-Rosetta, integrates Resolution Adapted Structural RECombination (RASREC) Rosetta NMR calculations with algorithms for automatic NOE assignment. The method was applied to two proteins in the 15-20 kDa size range for which both, NMR and X-ray data, is available. The autoNOE-Rosetta calculations converge for both proteins and yield accurate structures with an RMSD of 1.9 Å to the X-ray reference structures. The method greatly expands the radius of convergence for automatic NOE assignment, and should be broadly useful for NMR structure determination.
Altmetric
Weitere Metriken?
Zusatzinfos bearbeiten
[➜Einloggen]
Publikationstyp
Artikel: Journalartikel
Dokumenttyp
Wissenschaftlicher Artikel
Schlagwörter
Automatic Noe Assignment ; Nuclear Magnetic Resonance ; Structure Determination; Nmr Structure Determination; Chemical-shift Data; Structure Prediction; Protein; Suite
ISSN (print) / ISBN
0925-2738
e-ISSN
1573-5001
Zeitschrift
Journal of Biomolecular NMR
Quellenangaben
Band: 59,
Heft: 3,
Seiten: 147-159
Verlag
Springer
Verlagsort
Dordrecht
Nichtpatentliteratur
Publikationen
Begutachtungsstatus
Peer reviewed
Institut(e)
Institute of Structural Biology (STB)