静电学
溶剂化
泊松-玻尔兹曼方程
化学物理
化学
分子
分子动力学
静电
求和法
离子键合
航程(航空)
水溶液
统计物理学
计算化学
物理
物理化学
材料科学
离子
量子力学
复合材料
有机化学
作者
Barry Honig,Anthony Nicholls
出处
期刊:Science
[American Association for the Advancement of Science (AAAS)]
日期:1995-05-26
卷期号:268 (5214): 1144-1149
被引量:2806
标识
DOI:10.1126/science.7761829
摘要
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.
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