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TSP
2010
11 years 4 months ago
Efficient Maximum Entropy Reconstruction of Nuclear Magnetic Resonance T1-T2 Spectra
Abstract--This paper deals with the reconstruction of T1-T2 correlation spectra in nuclear magnetic resonance relaxometry. The ill-posed character and the large size of this invers...
Emilie Chouzenoux, Saïd Moussaoui, Jér...
JMLR
2010
105views more  JMLR 2010»
11 years 4 months ago
A highly efficient blocked Gibbs sampler reconstruction of multidimensional NMR spectra
Projection Reconstruction Nuclear Magnetic Resonance (PR-NMR) is a new technique to generate multi-dimensional NMR spectra, which have discrete features that are relatively sparse...
Ji Won Yoon, Simon P. Wilson, K. Hun Mok
CEC
2010
IEEE
11 years 4 months ago
Parameter estimation with term-wise decomposition in biochemical network GMA models by hybrid regularized Least Squares-Particle
High-throughput analytical techniques such as nuclear magnetic resonance, protein kinase phosphorylation, and mass spectroscopic methods generate time dense profiles of metabolites...
Prospero C. Naval, Luis G. Sison, Eduardo R. Mendo...
ICASSP
2010
IEEE
11 years 8 months ago
Optimization of a maximum entropy criterion for 2D Nuclear Magnetic Resonance reconstruction
This paper deals with the reconstruction of T1-T2 correlation spectra in Nuclear Magnetic Resonance (NMR) spectroscopy. The ill-posed character of this inverse problem and its lar...
Emilie Chouzenoux, Saïd Moussaoui, Jér...
BMCBI
2007
119views more  BMCBI 2007»
11 years 9 months ago
Conceptual-level workflow modeling of scientific experiments using NMR as a case study
Background: Scientific workflows improve the process of scientific experiments by making computations explicit, underscoring data flow, and emphasizing the participation of humans...
Kacy K. Verdi, Heidi J. C. Ellis, Michael R. Gryk
ANTSW
2008
Springer
11 years 11 months ago
Molecular Structure Elucidation Using Ant Colony Optimization: A Preliminary Study
Abstract. Identifying the structure of unknown molecules is an important activity in the pharmaceutical industry where it underpins the production of new drugs and the analysis of ...
Caroline Farrelly, Douglas B. Kell, Joshua D. Know...
RECOMB
2001
Springer
12 years 2 months ago
Extracting structural information using time-frequency analysis of protein NMR data
High-throughput, data-directed computational protocols for Structural Genomics (or Proteomics) are required in order to evaluate the protein products of genes for structure and fu...
Christopher James Langmead, Bruce Randall Donald
RECOMB
2004
Springer
12 years 10 months ago
A random graph approach to NMR sequential assignment
Nuclear magnetic resonance (NMR) spectroscopy allows scientists to study protein structure, dynamics and interactions in solution. A necessary first step for such applications is ...
Chris Bailey-Kellogg, Sheetal Chainraj, Gopal Pand...
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