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Catalog Publications

Year 2024
  • Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
    Publication
    • M. Przybyłek
    • A. Tuwalska
    • D. Ledziński
    • S. Śmigiel
    • A. Sionkowska
    • I. Białas
    • P. Bełdowski

    - Applied Sciences-Basel - Year 2024

    Fibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...

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Year 2023
Year 2022
  • Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
    Publication
    • P. Bełdowski
    • M. Przybyłek
    • D. Bełdowski
    • A. Dedinaite
    • A. Sionkowska
    • P. Cysewski
    • P. M. Claesson

    - Journal of Materials Chemistry B - Year 2022

    Hyaluronan–collagen composites have been employed in numerous biomedical applications. Understanding the interactions between hyaluronan and collagen is particularly important in the context of joint cartilage function and the treatment of joint diseases. Many factors affect the affinity of collagen for hyaluronan. One of the important factors is the ratio of 3- or 4-hydroxy proline to proline residues. This article presents...

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  • Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
    Publication
    • P. Bełdowski
    • M. Przybyłek
    • A. Sionkowska
    • P. Cysewski
    • M. Gadomska
    • K. Musiał
    • A. Gadomski

    - Materials - Year 2022

    The ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...

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Year 2021
  • Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
    Publication
    • P. Bełdowski
    • M. Przybyłek
    • P. Raczyński
    • A. Dedinaite
    • K. Górny
    • F. Wieland
    • Z. Dendzik
    • A. Sionkowska
    • P. M. Claesson

    - International Journal of Molecular Sciences - Year 2021

    The lubrication mechanism in synovial fluid and joints is not yet fully understood. Nevertheless, intermolecular interactions between various neutral and ionic species including large macromolecular systems and simple inorganic ions are the key to understanding the excellent lubrication performance. An important tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin...

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