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Monte Carlo Simulation of Protein Adsorption on Energetically Heterogeneous Surfaces

机译:能量异质表面上蛋白质吸附的蒙特卡罗模拟

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摘要

The modified triangular-well potential model was applied to incorporate the effect of surface energy on the adsorption of particles or proteins on energetically heterogeneous surfaces. The method is convenient in simulating the adsorption on heterogeneous surface of which different region possesses different free energy. Spherical particles with attractive forces were added on the surface and underwent surface diffusion before they were quenched in place. It was seen that the ratio of surface energies of two regions had to be greater than 10 in order to simulate the adsorption in which the particles were selectively adsorbed on a favorable area. At a fixed ratio of surface energies, the obtained structures were similar. If the ratio was less than 10, the probability of adsorption on any site on the surface was not much different so the adsorption would be homogeneous adsorption. The method, thus, could be applied widely to simulate the adsorption of various conditions.
机译:应用修改后的三角阱势能模型,以纳入表面能对能量异质表面上的颗粒或蛋白质吸附的影响。该方法便于模拟不同区域具有不同自由能的异质表面上的吸附。将具有吸引力的球形颗粒添加到表面并进行表面扩散,然后将其淬灭到位。可以看出,两个区域的表面能之比必须大于10,以模拟其中颗粒被选择性地吸附在合适区域上的吸附。在固定的表面能比下,获得的结构相似。如果该比率小于10,则在表面上任何位置上的吸附概率没有太大差异,因此吸附将是均匀吸附。因此,该方法可广泛应用于模拟各种条件的吸附。

著录项

  • 期刊名称 other
  • 作者

    Panu Danwanichakul;

  • 作者单位
  • 年(卷),期 -1(2014),-1
  • 年度 -1
  • 页码 278098
  • 总页数 8
  • 原文格式 PDF
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