NvAssign: protein NMR spectral assignment with NMRView | Zendy

Nigel I. Kirby | Zendy; Eugene F. DeRose | Zendy; Robert E. London | Zendy; Geoffrey A. Mueller | Zendy

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NvAssign: protein NMR spectral assignment with NMRView

Author(s) -

Nigel I. Kirby,

Eugene F. DeRose,

Robert E. London,

Geoffrey A. Mueller

Publication year - 2004

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/bth064

Subject(s) - computer science , interface (matter) , software , cluster analysis , spectral clustering , algorithm , weapon target assignment problem , fragment (logic) , cluster (spacecraft) , domain (mathematical analysis) , data mining , generalized assignment problem , programming language , optimization problem , mathematics , parallel computing , artificial intelligence , mathematical analysis , bubble , maximum bubble pressure method

Nuclear magnetic resonance (NMR) protein studies rely on the accurate assignment of resonances. The general procedure is to (1) pick peaks, (2) cluster data from various experiments or spectra, (3) assign peaks to the sequence and (4) verify the assignments with the spectra. Many algorithms already exist for automating the assignment process (step 3). What is lacking is a flexible interface to help a spectroscopist easily move from clustering (step 2) to assignment algorithms (step 3) and back to verification of the algorithm output with spectral analysis (step 4).

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