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Default Bayesian reconstruction of projection reconstruction NMR (PR-NMR).

Bayesian reconstruction of projection reconstruction NMR (PR-NMR).

Related Articles Bayesian reconstruction of projection reconstruction NMR (PR-NMR).

Comput Biol Med. 2014 Aug 24;54C:89-99

Authors: Yoon JW

Abstract
Projection reconstruction nuclear magnetic resonance (PR-NMR) is a technique for generating multidimensional NMR spectra. A small number of projections from lower-dimensional NMR spectra are used to reconstruct the multidimensional NMR spectra. In our previous work [1,2], it was shown that multidimensional NMR spectra are efficiently reconstructed using peak-by-peak based reversible jump Markov chain Monte Carlo (RJMCMC) algorithm. We propose an extended and generalized RJMCMC algorithm replacing a simple linear model with a linear mixed model to reconstruct close NMR spectra into true spectra. This statistical method generates samples in a Bayesian scheme. Our proposed algorithm is tested on a set of six projections derived from the three-dimensional 700MHz HNCO spectrum of a protein HasA.


PMID: 25218584 [PubMed - as supplied by publisher]



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