Permanent link to this recordhttp://hdl.handle.net/10754/552357
MetadataShow full item record
AbstractProtein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein–DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking step, the most important and tricky step in NMR structure determination. We propose to model the NMR spectrum by a mixture of bivariate Gaussian densities and use the stochastic approximation Monte Carlo algorithm as the computational tool to solve the problem. Under the Bayesian framework, the peak picking problem is casted as a variable selection problem. The proposed method can automatically distinguish true peaks from false ones without preprocessing the data. To the best of our knowledge, this is the first effort in the literature that tackles the peak picking problem for NMR spectrum data using Bayesian method.
CitationBayesian Peak Picking for NMR Spectra 2014, 12 (1):39 Genomics, Proteomics & Bioinformatics
PubMed Central IDPMC4411369
- Bayesian reconstruction of projection reconstruction NMR (PR-NMR).
- Authors: Yoon JW
- Issue date: 2014 Nov
- BATMAN--an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model.
- Authors: Hao J, Astle W, De Iorio M, Ebbels TM
- Issue date: 2012 Aug 1
- Protein NMR structure determination with automated NOE-identification in the NOESY spectra using the new software ATNOS.
- Authors: Herrmann T, Güntert P, Wüthrich K
- Issue date: 2002 Nov
- Automatic peak selection by a Benjamini-Hochberg-based algorithm.
- Authors: Abbas A, Kong XB, Liu Z, Jing BY, Gao X
- Issue date: 2013
- WaVPeak: picking NMR peaks through wavelet-based smoothing and volume-based filtering.
- Authors: Liu Z, Abbas A, Jing BY, Gao X
- Issue date: 2012 Apr 1