Combined automated NOE assignment and structure calculation with CYANA

被引：275
作者：
Guentert, Peter [1 ,2 ,3 ]
Buchner, Lena [1 ]
机构：
[1] Goethe Univ Frankfurt, Ctr Biomol Magnet Resonance, Inst Biophys Chem, D-60438 Frankfurt, Germany
[2] ETH, Phys Chem Lab, CH-8092 Zurich, Switzerland
[3] Tokyo Metropolitan Univ, Grad Sch Sci, Hachioji, Tokyo, Japan
来源：
JOURNAL OF BIOMOLECULAR NMR | 2015年 / 62卷 / 04期
基金：
日本学术振兴会;
关键词：
Automated assignment; NOESY; Distance restraints; Structure calculation; CYANA; CASD-NMR; AMBIGUOUS DISTANCE RESTRAINTS; NMR STRUCTURE DETERMINATION; MAGNETIC-RESONANCE DATA; TORSION ANGLE DYNAMICS; PROTEIN STRUCTURES; SPECTRA; PROGRAM; ALGORITHM; IDENTIFICATION; CONFORMATIONS;
D O I：
10.1007/s10858-015-9924-9
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
The automated assignment of NOESY cross peaks has become a fundamental technique for NMR protein structure analysis. A widely used algorithm for this purpose is implemented in the program CYANA. It has been used for a large number of structure determinations of proteins in solution but was so far not described in full detail. In this paper we present a complete description of the CYANA implementation of automated NOESY assignment, which differs extensively from its predecessor CANDID by the use of a consistent probabilistic treatment, and we discuss its performance in the second round of the critical assessment of structure determination by NMR.
引用
收藏
页码：453 / 471
页数：19
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