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  AURELIA, a program for computer-aided analysis of multidimensional NMR spectra

Neidig, K.-P., Geyer, M., Görler, A., Antz, C., Saffrich, R., Beneicke, W., et al. (1995). AURELIA, a program for computer-aided analysis of multidimensional NMR spectra. Journal of Biomolecular NMR, 6(3), 255-270. doi:10.1007/BF00197807.

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Genre: Journal Article
Alternative Title : AURELIA, a program for computer-aided analysis of multidimensional NMR spectra

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JBiomolNMR_6_1995_255.pdf (Any fulltext), 2MB
 
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 Creators:
Neidig, Klaus-Peter, Author
Geyer, Matthias1, Author              
Görler, Adrian1, Author              
Antz, Christof1, Author              
Saffrich, Rainer1, Author              
Beneicke, Wolfgang1, Author              
Kalbitzer, Hans Robert1, Author              
Affiliations:
1Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497712              

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Free keywords: Multidimensional NMR ; Pattern recognition
 Abstract: AURELIA is an advanced program for the computer-aided evaluation of two-, three- and four-dimensional NMR spectra of any type of molecule. It can be used for the analysis of spectra of small molecules as well as for evaluation of complicated spectra of biological macromolecules such as proteins. AURELIA is highly interactive and offers a large number of tools, such as artefact reduction, cluster and multiplet analysis, spin system searches, resonance assignments, automated calculation of volumes in multidimensional spectra, calculation of distances with different approaches, including the full relaxation matrix approach, Bayesian analysis of peak features, correlation of molecular structures with NMR data, comparison of spectra via spectral algebra and pattern match techniques, automated sequential assignments on the basis of triple resonance spectra, and automatic strip calculation. In contrast to most other programs, many tasks are performed automatically.

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Language(s): eng - English
 Dates: 1995-05-291995-07-251995-11-01
 Publication Status: Published in print
 Pages: 16
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 Table of Contents: -
 Rev. Type: Peer
 Degree: -

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Title: Journal of Biomolecular NMR
  Abbreviation : J. Biomol. NMR
Source Genre: Journal
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Publ. Info: Dordrecht, The Netherlands : Springer Science+Business Media
Pages: - Volume / Issue: 6 (3) Sequence Number: - Start / End Page: 255 - 270 Identifier: ISSN: 0925-2738
CoNE: https://pure.mpg.de/cone/journals/resource/954925566734