中文摘要：

在分子尺度上对生物系统的研究主要通过模拟生物分子间的相互作用来完成.在众多的分子间相互作用中,静电相互作用及其重要,对它的定量计算是了解生物分子的溶剂化效应、生物分子折叠和酶催化作用等的一个中心课题.本综述着重介绍用于计算溶剂化效应的泊松-玻尔兹曼模型,包括模型的理论基础、发展历程、数值求解方法、及在分子生物学研究中的应用等.同时,也介绍泊松-玻尔兹曼模型的一种近似模型,广义玻恩模型.

英文摘要：

Biological systems could be investigated at molecular level by simulating interactions of molecules. Among various molecular interaction, electrostatic interaction is of central importance to understand solvation properties of biomolecules, and to explain solvation effects such as folding, binding, enzyme catalysis and so on. In this work, Poisson-Boltzmann model for biomolecular solvation calculation is reviewed, including background, development, theories, numerical calculations and applications in molecular biology. Besides, as an approximated model, generalized Born model is discussed.