Comput. Biol. Med. - Bayesian reconstruction of projection reconstruction NMR (PR-NMR).

Tópicos

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Resumo

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, 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 700 MHz HNCO spectrum of a protein HasA.

Resumo Limpo

project reconstruct nuclear magnet reson prnmr techniqu generat multidimension nmr spectra small number project lowerdimension nmr spectra use reconstruct multidimension nmr spectra previous work shown multidimension nmr spectra effici reconstruct use peakbypeak base revers jump markov chain mont carlo rjmcmc algorithm propos extend general rjmcmc algorithm replac simpl linear model linear mix model reconstruct close nmr spectra true spectra statist method generat sampl bayesian scheme propos algorithm test set six project deriv threedimension mhz hnco spectrum protein hasa

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