A fast adaptive multigrid boundary element method for macromolecular electrostatic computations in a solvent

@article{Vorobjev1997AFA,
  title={A fast adaptive multigrid boundary element method for macromolecular electrostatic computations in a solvent},
  author={Yury N. Vorobjev and Harold A. Scheraga},
  journal={Journal of Computational Chemistry},
  year={1997},
  volume={18},
  pages={569-583}
}
Ž . ABSTRACT: A fast multigrid boundary element MBE method for solving the Poisson equation for macromolecular electrostatic calculations in a solvent is developed. To convert the integral equation of the BE method into a numerical linear equation of low dimensions, the MBE method uses an adaptive tesselation of the molecular surface by BEs with nonregular size. The size of the BEs increases in three successive levels as the uniformity of the electrostatic field on the molecular surface… CONTINUE READING
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