Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations

  title={Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations},
  author={Zhenli Xu and Wei Cai},
  journal={SIAM review. Society for Industrial and Applied Mathematics},
  volume={53 4},
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… CONTINUE READING


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