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BioMed Research International
Volume 2014, Article ID 808071, 11 pages
Research Article

Glycosaminoglycan Monosaccharide Blocks Analysis by Quantum Mechanics, Molecular Dynamics, and Nuclear Magnetic Resonance

1Structural Bioinformatics, BIOTEC, TU Dresden, Tatzberg 47-51, 01307 Dresden, Germany
2Institute of Medical Physics and Biophysics, University of Leipzig, Härtelstr. 16-18, 04107 Leipzig, Germany

Received 17 December 2013; Accepted 22 January 2014; Published 7 April 2014

Academic Editor: Dieter Scharnweber

Copyright © 2014 Sergey A. Samsonov et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Citations to this Article [8 citations]

The following is the list of published articles that have cited the current article.

  • Milos Hricovini, Pierre-Alexandre Driguez, and Olga L. Malkina, “NMR and DFT Analysis of Trisaccharide from Heparin Repeating Sequence,” Journal of Physical Chemistry B, vol. 118, no. 41, pp. 11931–11942, 2014. View at Publisher · View at Google Scholar
  • Miloš Hricovíni, “Solution Structure of Heparin Pentasaccharide: NMR and DFT Analysis,” The Journal of Physical Chemistry B, pp. 150915142519004, 2015. View at Publisher · View at Google Scholar
  • Jacek Mlynarski, Daniel Łowicki, and Szymon Buda, “NMR of carbohydrates,” Nuclear Magnetic Resonance, vol. 44, pp. 407–430, 2015. View at Publisher · View at Google Scholar
  • Kinga Salus, Marcin Hoffmann, Bożena Wyrzykiewicz, and Donata Pluskota-Karwatka, “Structural studies of malonaldehyde–glyoxal and malonaldehyde–methylglyoxal etheno adducts of adenine nucleosides based on spectroscopic methods and DFT-GIAO calculations,” New J. Chem., 2016. View at Publisher · View at Google Scholar
  • Balaji Nagarajan, Nehru Viji Sankaranarayanan, and Umesh R. Desai, “Perspective on computational simulations of glycosaminoglycans,” Wiley Interdisciplinary Reviews: Computational Molecular Science, pp. e1388, 2018. View at Publisher · View at Google Scholar
  • Poonam Pandey, Asaminew H. Aytenfisu, Alexander D. MacKerell, and Sairam S. Mallajosyula, “ Drude Polarizable Force Field Parametrization of Carboxylate and N -Acetyl Amine Carbohydrate Derivatives ,” Journal of Chemical Theory and Computation, 2019. View at Publisher · View at Google Scholar
  • Krzysztof K. Bojarski, Jana Becher, Thomas Riemer, Katharina Lemmnitzer, Stephanie Möller, Jürgen Schiller, Matthias Schnabelrauch, and Sergey A. Samsonov, “Synthesis and in silico characterization of artificially phosphorylated glycosaminoglycans,” Journal of Molecular Structure, 2019. View at Publisher · View at Google Scholar
  • Arunima Singh, David Montgomery, Xingran Xue, Bethany L Foley, and Robert J Woods, “GAG Builder: a web-tool for modeling 3D structures of glycosaminoglycans,” Glycobiology, 2019. View at Publisher · View at Google Scholar