title: Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations.
abstract: We review recent developments of fast analytical methods for macroscopic electrostatic calculations in biological applications, including the Poisson-Boltzmann (PB) and the generalized Born models for electrostatic solvation energy. The focus is on analytical approaches for hybrid solvation models, especially the image charge method for a spherical cavity, and also the generalized Born theory as an approximation to the PB model. This review places much emphasis on the mathematical details behind these methods.
authors.affiliation: Department of Mathematics and Institute of Natural Sciences, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China, and Department of Mathematics and Statistics, University of North Carolina, Charlotte, NC 28223 ( xuzl@sjtu.edu.cn ).
authors.forename: Zhenli
authors.initials: Z
authors.lastname: Xu
authors.forename: Wei
authors.initials: W
authors.lastname: Cai
keywords: Poisson–Boltzmann equation; electrostatic free energy; electrostatic interactions; fast algorithm; generalized Born theory; hybrid explicit/implicit solvation models; image charge approximation; macroscopic solvent models; multipole expansion; reaction field