Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations

Authors:
Zhenli Xu;Wei Cai
Affiliations:
xuzl@sjtu.edu.cn;wcai@uncc.edu
Venue:
SIAM Review
Year:
2011

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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.