适用于生物分子识别的简单静电模型
A simple electrostatic model applicable to biomolecular recognition
摘要：
一个简单的静电模型适用于生物分子识别的精确，解析解。在该模型中，一层高介电常数材料（代表溶剂，水）的厚度可以变化，将两个低介电常数材料（代表蛋白质，DNA，RNA或类似材料）的区域分开，在每个区域中嵌入一个点电荷。对于相同的电荷，屏蔽层的存在总是降低的能量相比，在一个无限的低介电常数介质中的点电荷的情况下。有些令人惊讶的是，与高介电常数的无限介质中的点电荷的情况相比，足够厚的屏蔽层的存在也降低了能量。对于相反符号的电荷，屏蔽层总是降低能量的情况下相比，点电荷在无限介质中的高或低介电常数。能量的行为导致相同符号的电荷之间的排斥力大大增加。相反符号的电荷之间的排斥力比低介电常数材料的无限介质中的弱，但比高介电常数材料的无限介质中的强。这种行为的存在，我们称之为不对称屏蔽，在这里提出的简单系统中证实了在无限溶剂中任意数量的带电电介质球的更复杂系统中建立的行为的普遍性。
英文摘要：
An exact, analytic solution for a simple electrostatic model applicable to biomolecular recognition is presented. In the model, a layer of high dielectric constant material (representative of the solvent, water) whose thickness may vary separates two regions of low dielectric constant material (representative of proteins, DNA, RNA, or similar materials), in each of which is embedded a point charge. For identical charges, the presence of the screening layer always lowers the energy compared to the case of point charges in an infinite medium of low dielectric constant. Somewhat surprisingly, the presence of a sufficiently thick screening layer also lowers the energy compared to the case of point charges in an infinite medium of high dielectric constant. For charges of opposite sign, the screening layer always lowers the energy compared to the case of point charges in an infinite medium of either high or low dielectric constant. The behavior of the energy leads to a substantially increased repulsive force between charges of the same sign. The repulsive force between charges of opposite signs is weaker than in an infinite medium of low dielectric constant material but stronger than in an infinite medium of high dielectric constant material. The presence of this behavior, which we name asymmetric screening, in the simple system presented here confirms the generality of the behavior that was established in a more complicated system of an arbitrary number of charged dielectric spheres in an infinite solvent.
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