A New Treatment for Water near the Interface between Lipid Membrane and Silica in Dissipative Particle Dynamics Simulation

DOI Web Site 5 Citations 11 References
  • DOI Hideo
    Department of Chemistry and Research Center for Smart Molecules, College of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan
  • OKUWAKI Koji
    Department of Chemistry and Research Center for Smart Molecules, College of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan
  • MOCHIZUKI Yuji
    Department of Chemistry and Research Center for Smart Molecules, College of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8503, Japan
  • OZAWA Taku
    JSOL Corporation, 2-5-24 Harumi,Chuo-ku,Tokyo 104-0053, Japan

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Other Title
  • 散逸粒子動力学におけるシリカ－脂質膜界面付近の水の取扱い

Abstract

<p>Dissipative particle dynamics (DPD) simulation is used for research in a wide range of science fields such as biological membranes. Conventionally, in such DPD simulations, both bulk water and interfacial water were treated by the same properties. However, such an approach could not well reproduce several properties of the target system, because some experimental and theoretical researches show the properties of water molecules near interfaces are considerably different from those of bulk water molecules. Therefore, in order to solve such a problem, we propose a new approach for interfacial water. We apply this approach to the DPD simulation of lipid membrane - silica - water system. As result, we could model the adsorption of lipid membrane on silica surface.</p>

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