离散电荷螺旋之间的静电相互作用
Electrostatic interactions between discrete helices of charge
摘要：
我们分析检查对相互作用的平行，离散螺旋的电荷。对称性参数允许能量被分解为一系列项的总和，每一项都有一个直观的几何解释。截断傅立叶展开这些条款允许在相互作用能量的轴向和方位角项的准确建模，这些表达式被证明是不敏感的相互作用的形式。的能量数值评估通过应用埃瓦尔德求和技术的特定情况下的未屏蔽的库仑相互作用的两个螺旋的电荷之间。研究了柔性螺旋的模式结构和静电能。所得到的能量表达式的后果被认为是F-肌动蛋白和A-DNA聚集体。
英文摘要：
We analytically examine the pair interaction for parallel, discrete helices of charge. Symmetry arguments allow for the energy to be decomposed into a sum of terms, each of which has an intuitive geometric interpretation. Truncated Fourier expansions for these terms allow for accurate modeling of both the axial and azimuthal terms in the interaction energy and these expressions are shown to be insensitive to the form of the interaction. The energy is evaluated numerically through application of an Ewald-like summation technique for the particular case of unscreened Coulomb interactions between the charges of the two helices. The mode structures and electrostatic energies of flexible helices are also studied. Consequences of the resulting energy expressions are considered for both F-actin and A-DNA aggregates.
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