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Interactions Between Blood Proteins and Nanoparticles Investigated Using Molecular Dynamics Simulations

In: High Performance Computing in Science and Engineering ' 18

Author

Listed:
  • Timo Schafer

    (Institut für Physik, Johannes Gutenberg University)

  • Christian Muhl

    (Institut für Organische Chemie, Johannes Gutenberg University)

  • Matthias Barz

    (Institut für Organische Chemie, Johannes Gutenberg University)

  • Friederike Schmid

    (Institut für Physik, Johannes Gutenberg University)

  • Giovanni Settanni

    (Institut für Physik, Johannes Gutenberg University)

Abstract

In the development of new therapeutic agents based on nanoparticles it is of fundamental importance understanding how these substances interact with the underlying biological milieu. Our research is focussed on simulating in silico these interactions using accurate atomistic models, and gather from these information general pictures and simplified models of the underlying phenomena. Here we report results about the interactions of blood proteins with promising hydrophilic polymers used for the coating of therapeutic nanoparticles, about the salt dependent behavior of one of these polymers (poly-(ethylene glycol)) and about the interactions of blood proteins with silica, one of the most used materials for the production of nanoparticles.

Suggested Citation

  • Timo Schafer & Christian Muhl & Matthias Barz & Friederike Schmid & Giovanni Settanni, 2019. "Interactions Between Blood Proteins and Nanoparticles Investigated Using Molecular Dynamics Simulations," Springer Books, in: Wolfgang E. Nagel & Dietmar H. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering ' 18, pages 63-74, Springer.
    • Handle: RePEc:spr:sprchp:978-3-030-13325-2_4
    DOI: 10.1007/978-3-030-13325-2_4
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