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Gangliosides pp 411–417Cite as

Molecular Dynamics of Gangliosides

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Part of the book series: Methods in Molecular Biology ((MIMB,volume 1804))

Abstract

Computational methodologies have immense potential to delineate the dynamic conformations of glycoconjugates including gangliosides, thereby characterizing the conformational adaptability of their glycans upon interacting with various target proteins. Replica-exchange molecular dynamics simulations have been employed to effectively explore the vast conformational spaces of large, branched carbohydrate moieties. When experimentally validated using NMR, molecular simulations can provide dynamical views of molecular recognition events involving the ganglioside glycans.

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References

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Author information

Authors and Affiliations

  1. School of Materials Science, Japan Advanced Institute of Science and Technology, Nomi, Japan

    Takumi Yamaguchi

  2. Graduate School of Pharmaceutical Sciences, Nagoya City University, Mizuho-ku, Nagoya, Japan

    Takumi Yamaguchi & Koichi Kato

  3. Exploratory Research Center on Life and Living Systems and Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki, Japan

    Koichi Kato

Authors
  1. Takumi Yamaguchi
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  2. Koichi Kato
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Corresponding author

Correspondence to Koichi Kato .

Editor information

Editors and Affiliations

  1. Department of Medical Biotech & Translational Medicine, University of Milan, Segrate, Milano, Italy

    Sandro Sonnino

  2. Department of Medical Biotech & Translational Medicine, University of Milan, Segrate, Milano, Italy

    Alessandro Prinetti

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Yamaguchi, T., Kato, K. (2018). Molecular Dynamics of Gangliosides. In: Sonnino, S., Prinetti, A. (eds) Gangliosides. Methods in Molecular Biology, vol 1804. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-8552-4_20

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  • DOI: https://doi.org/10.1007/978-1-4939-8552-4_20

  • Published:

  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-8551-7

  • Online ISBN: 978-1-4939-8552-4

  • eBook Packages: Springer Protocols

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