Here we present the XIPP (eXtensible Interactive Peak Picker) NMR software for analyzing multidimensional NMR data of proteins, DNA, RNA and protein-nucleic acid complexes. XIPP organizes experiments into pre-defined studies and replaces our original PIPP software suite which is no longer supported. Default study types exist for backbone assignment, sidechain assignment, NOE assignment and several relaxation series experiments, used in solution NMR studies. XIPP is written in Java and Jython. The default study types are defined in Jython which can be modified and extended to create new types of studies.
Predicting the redox state and secondary structure of cysteine residues using multi-dimensional classification analysis of NMR chemical shifts
Predicting the redox state and secondary structure of cysteine residues using multi-dimensional classification analysis of NMR chemical shifts
Abstract
A tool for predicting the redox state and secondary structure of cysteine residues using multi-dimensional analyses of different combinations of nuclear magnetic resonance (NMR) chemical shifts has been developed. A data set of cysteine \({}^{13}{\text{C}}^{'}\) , 13Cα, 13Cβ, 1Hα, 1HN, and 15NH chemical shifts was...
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09-22-2016 06:26 AM
Fast multi-dimensional NMR acquisition and processing using the sparse FFT
Fast multi-dimensional NMR acquisition and processing using the sparse FFT
Abstract
Increasing the dimensionality of NMR experiments strongly enhances the spectral resolution and provides invaluable direct information about atomic interactions. However, the price tag is high: long measurement times and heavy requirements on the computation power and data storage. We introduce sparse fast Fourier transform as a new method of NMR signal collection and processing, which is capable of reconstructing high quality spectra of large size and dimensionality...
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06-30-2015 11:41 AM
[NMR paper] Rapid prediction of multi-dimensional NMR data sets.
Rapid prediction of multi-dimensional NMR data sets.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--production.springer.de-OnlineResources-Logos-springerlink.gif Related Articles Rapid prediction of multi-dimensional NMR data sets.
J Biomol NMR. 2012 Dec;54(4):377-87
Authors: Gradmann S, Ader C, Heinrich I, Nand D, Dittmann M, Cukkemane A, van Dijk M, Bonvin AM, Engelhard M, Baldus M
Abstract
We present a computational environment for Fast Analysis of multidimensional NMR DAta Sets (FANDAS) that allows assembling...
Analysis of non-uniformly sampled spectra with multi-dimensional decomposition
Analysis of non-uniformly sampled spectra with multi-dimensional decomposition
Publication year: 2011
Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 59, Issue 3</br>
Vladislav Yu. Orekhov, Victor A. Jaravine</br>
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03-09-2012 09:16 AM
Analysis of non-uniformly sampled spectra with Multi-Dimensional Decomposition
Analysis of non-uniformly sampled spectra with Multi-Dimensional Decomposition
Publication year: 2011
Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 24 February 2011</br>
Vladislav Yu., Orekhov , Victor A., Jaravine</br>
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02-26-2011 01:07 PM
[NMR paper] Fast multi-dimensional NMR of proteins.
Fast multi-dimensional NMR of proteins.
Related Articles Fast multi-dimensional NMR of proteins.
J Biomol NMR. 2003 Apr;25(4):349-54
Authors: Kupce E, Freeman R
Three-dimensional HNCO and HNCA subspectra from a small protein (agitoxin, 4 kDa, enriched in carbon-13 and nitrogen-15), have been obtained by direct frequency-domain excitation of selected carbon and nitrogen sites. This new technique applies an array of several simultaneous soft radiofrequency spin-inversion pulses, encoded (on or off) according to nested Hadamard matrices, and the...
XIPP: multi-dimensional NMR analysis software
Linear Mode
