期刊
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
卷 628, 期 -, 页码 24-32出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/j.abb.2017.02.011
关键词
Peak picking; Resonance assignment; NOE assignment; Structure calculation; FLYA; CYANA
资金
- Grants-in-Aid for Scientific Research [17K07312] Funding Source: KAKEN
NMR spectra analysis for protein structure determination can now in many cases be performed by automated computational methods. This overview of the computational methods for NMR protein structure analysis presents recent automated methods for signal identification in multidimensional NMR spectra, sequence-specific resonance assignment, collection of conformational restraints, and structure calculation, as implemented in the CYANA software package. These algorithms are sufficiently reliable and integrated into one software package to enable the fully automated structure determination of proteins starting from NMR spectra without manual interventions or corrections at intermediate steps, with an accuracy of 1-2 angstrom backbone RMSD in comparison with manually solved reference structures. (C) 2017 Elsevier Inc. All rights reserved.
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