Honig B, Nicholls A
Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY 10032, USA.
Science. 1995 May 26;268(5214):1144-9. doi: 10.1126/science.7761829.
A major revival in the use of classical electrostatics as an approach to the study of charged and polar molecules in aqueous solution has been made possible through the development of fast numerical and computational methods to solve the Poisson-Boltzmann equation for solute molecules that have complex shapes and charge distributions. Graphical visualization of the calculated electrostatic potentials generated by proteins and nucleic acids has revealed insights into the role of electrostatic interactions in a wide range of biological phenomena. Classical electrostatics has also proved to be successful quantitative tool yielding accurate descriptions of electrical potentials, diffusion limited processes, pH-dependent properties of proteins, ionic strength-dependent phenomena, and the solvation free energies of organic molecules.
通过开发快速数值和计算方法来求解具有复杂形状和电荷分布的溶质分子的泊松 - 玻尔兹曼方程,经典静电学作为研究水溶液中带电和极性分子的一种方法得以大幅复兴。对蛋白质和核酸产生的计算静电势进行图形可视化,揭示了静电相互作用在广泛生物现象中的作用。经典静电学也已被证明是一种成功的定量工具,能够准确描述电势、扩散受限过程、蛋白质的pH依赖性性质、离子强度依赖性现象以及有机分子的溶剂化自由能。