...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Numerical Solution of the Nonlinear Poisson-Boltzmann Equation for a Macroion Modeled as an Array of Non Overlapping Beads
【24h】

Numerical Solution of the Nonlinear Poisson-Boltzmann Equation for a Macroion Modeled as an Array of Non Overlapping Beads

机译：建模为非重叠磁珠阵列的Macroion的非线性Poisson-Boltzmann方程的数值解

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

In this work, an approximate numerical procedure, AB, is developed to solve the nonlinear Poisson- Boltzmann equation around a macroion modeled as an array of non overlapping beads containing charges placed at their centers. The bead radii, their charges, and the relative bead configuration are arbitrary. In the limit of a single bead ofarbitrary charge, the AB procedure is exact. For dimers and other bead arrays, it is possible to compare the approximate potentials derived using the AB procedure with exact potentials obtained by a boundary element, BE, procedure. Average surface or "zeta" potentials are examined for dimers, trimers, and tetramers. The bead size and charges are chosen to ensure that nonlinear charge effects are significant. In these test cases, the AB procedure is accurate to better than 5% over a wide range of ionic strength. Finally, the electrostatics of short duplex DNA (≤ 100 base pairs) are examined using both "smooth cylinder" and "touching bead" models. It is concluded that the modeling DNA as a string of touching beads using the AB procedure yields "zeta" potentials that are accurate to better than 10%.
机译：在这项工作中，开发了一种近似的数值程序AB，以解决围绕一个宏粒子建模的非线性Poisson-Boltzmann方程，该宏粒子建模为一组非重叠的小球，这些小球包含位于其中心的电荷。磁珠半径，其电荷和相对磁珠配置是任意的。在任意电荷单珠的范围内，AB程序是准确的。对于二聚体和其他磁珠阵列，可以将使用AB过程得出的近似电势与通过边界元素BE过程获得的精确电势进行比较。检查二聚体，三聚体和四聚体的平均表面或“ζ”电势。选择磁珠的大小和电荷以确保非线性电荷影响显着。在这些测试案例中，AB程序在很宽的离子强度范围内精确到优于5％。最后，使用“光滑圆柱体”和“接触珠”模型检查短双链体DNA（≤100个碱基对）的静电。结论是，使用AB程序将DNA建模为一串接触珠，可以产生精确到优于10％的“ζ”电位。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号