Related ArticlesSignal identification in NMR spectra with coupled evolution periods.
J Magn Reson. 2005 Sep;176(1):47-53
Authors: Malmodin D, Billeter M
Novel multidimensional NMR experiments rely on modified time-domain sampling schemes to provide significant savings of experimental time. Several approaches are based on the coupling of evolution times resulting in a reduction of the dimensionality of the recorded spectra, and a concomitant saving of experimental time. We present a consistent and general tool, called EVOCOUP, for the analysis of these reduced dimensionality spectra. The approach is flexible in the sense that the input can consist of various forms of reduced dimensionality spectra, that any piece of information can be removed (provided enough information is left), e.g., signals undetectable due to poor signal-to-noise or covered by artifacts, and that it can be applied to spectra involving any number of nuclei. The use of a general optimization procedure and an appropriate target function provides for a robust approach with well-defined results and ensures optimal use of redundant information normally present in the input. Spectral overlap in the directly detected dimension is resolved in a fully automated manner, avoiding the assessment of signal quality and its use in combinatorial trials. The positions of all peaks in a corresponding full-dimensional spectrum are obtained without need for reconstruction of this spectrum. In a systematic analysis of a complete spectrum recorded for the 14 kDa protein azurin and involving five different nuclei, only four spin systems were missed and no false spins systems were detected.
Suppression of sampling artefacts in high-resolution four-dimensional NMR spectra using Signal Separation Algorithm
Suppression of sampling artefacts in high-resolution four-dimensional NMR spectra using Signal Separation Algorithm
Publication year: 2011
Source: Journal of Magnetic Resonance, Available online 20 October 2011</br>
Jan*Stanek, Rafal*Augustyniak, Wiktor*Ko?mi?ski</br>
The development of non-uniform sampling (NUS) strategies permits to obtain high-dimensional spectra with increased resolution in significantly reduced experimental time. We extended a previously proposed signal separation algorithm (SSA) to process sparse four-dimensional NMR data. It is employed for two experiments...
[NMR paper] Protein structural class identification directly from NMR spectra using averaged chem
Protein structural class identification directly from NMR spectra using averaged chemical shifts.
Related Articles Protein structural class identification directly from NMR spectra using averaged chemical shifts.
Bioinformatics. 2003 Nov 1;19(16):2054-64
Authors: Mielke SP, Krishnan VV
Knowledge of the three-dimensional structure of proteins is integral to understanding their functions, and a necessity in the era of proteomics. A wide range of computational methods is employed to estimate the secondary, tertiary, and quaternary structures of...
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Improved Resolution in Dipolar NMR Spectra Using Constant Time Evolution PISEMA Exper
Improved Resolution in Dipolar NMR Spectra Using Constant Time Evolution PISEMA Experiment.
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Chem Phys Lett. 2010 Jul 9;494(1-3):104-110
Authors: Gopinath T, Veglia G
The atomic structure of small molecules and polypeptides can be attained from anisotropic NMR parameters such as dipolar couplings (DC) and chemical shifts (CS). Separated local field experiments resolve DC and CS correlations into two dimensions. However, crowded NMR...
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[NMR paper] 1H, 15N, and 13C NMR signal assignments of IIIGlc, a signal-transducing protein of Es
1H, 15N, and 13C NMR signal assignments of IIIGlc, a signal-transducing protein of Escherichia coli, using three-dimensional triple-resonance techniques.
Related Articles 1H, 15N, and 13C NMR signal assignments of IIIGlc, a signal-transducing protein of Escherichia coli, using three-dimensional triple-resonance techniques.
Biochemistry. 1991 Oct 15;30(41):10043-57
Authors: Pelton JG, Torchia DA, Meadow ND, Wong CY, Roseman S
IIIGlc is an 18.1-kDa signal-transducing phosphocarrier protein of the phosphoenolpyruvate:glycose phosphotransferase...
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[NMR paper] 1H, 15N, and 13C NMR signal assignments of IIIGlc, a signal-transducing protein of Es
1H, 15N, and 13C NMR signal assignments of IIIGlc, a signal-transducing protein of Escherichia coli, using three-dimensional triple-resonance techniques.
Related Articles 1H, 15N, and 13C NMR signal assignments of IIIGlc, a signal-transducing protein of Escherichia coli, using three-dimensional triple-resonance techniques.
Biochemistry. 1991 Oct 15;30(41):10043-57
Authors: Pelton JG, Torchia DA, Meadow ND, Wong CY, Roseman S
IIIGlc is an 18.1-kDa signal-transducing phosphocarrier protein of the phosphoenolpyruvate:glycose phosphotransferase...
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PRODECOMP - program for decomposition of NMR spectra with coupled evolution periods
Multiway Decomposition of NMR Spectra with Coupled Evolution Periods
Daniel Malmodin and Martin Billeter
J. Am. Chem. Soc.; 2005; 127(39), pp 13486 - 13487
http://pubs.acs.org/isubscribe/journals/jacsat/127/i39/figures/ja0545822n00001.gif
Abstract:
Coupling evolution periods in NMR experiments on proteins has recently attracted much attention for its substantial savings in measurement time. Using the concept of multiway decomposition, which already proved useful in many types of NMR applications, the novel tool PRODECOMP decomposes sets of spectra with coupled evolution periods...
Signal identification in NMR spectra with coupled evolution periods.
Linear Mode
