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Automated solvent artifact removal and base plane correction of multidimensional NMR protein spectra by AUREMOL-SSA |
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| Authors: | Wilhelm M Malloni Silvia De Sanctis Ana M Tomé Elmar W Lang Claudia E Munte Klaus Peter Neidig Hans Robert Kalbitzer |
| Institution: | (1) Institute of Biophysics and Physical Biochemistry, University of Regensburg, 93040 Regensburg, Germany;(2) Department Electrical Engineering, Telecommunications and Informatics, University of Aveiro, 3100 Aveiro, Portugal;(3) BioSpin GmbH, Software Department, Silberstreifen 4, 76287 Rheinstetten, Germany; |
| Abstract: | Strong solvent signals lead to a disappearance of weak protein signals close to the solvent resonance frequency and to base plane variations all over the spectrum. AUREMOL-SSA provides an automated approach for solvent artifact removal from multidimensional NMR protein spectra. Its core algorithm is based on singular spectrum analysis (SSA) in the time domain and is combined with an automated base plane correction in the frequency domain. The performance of the method has been tested on synthetic and experimental spectra including two-dimensional NOESY and TOCSY spectra and a three-dimensional 1H,13C-HCCH-TOCSY spectrum. It can also be applied to frequency domain spectra since an optional inverse Fourier transformation is included in the algorithm. |
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