Self-assembled Structure of Amphiphiles by Coarse-grained Molecular Model

  • SHINODA Wataru
    Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST)

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Other Title
  • 粗視化モデルによる両親媒性分子の自己組織化構造解析
  • ソシカ モデル ニ ヨル リョウシン バイセイ ブンシ ノ ジコ ソシキカ コウゾウ カイセキ

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Abstract

The recently developed coarse-grained (CG) molecular model enables us to investigate meso-scopic morphologies of self-assembly of amphiphilic molecules at the molecular level. The present CG model is designed to well reproduce the interfacial properties, solvation free energy, as well as molecular distribution obtained from simulations at the all-atomic detail. The transferability and versatility is demonstrated by applying the model to the bulk aqueous solution as well as to the air/water interfacial system.<br>

Journal

  • Seibutsu Butsuri

    Seibutsu Butsuri 50 (5), 232-235, 2010

    The Biophysical Society of Japan General Incorporated Association

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