A parallel finite element simulator for ion transport through three-dimensional ion channel systems

  title={A parallel finite element simulator for ion transport through three-dimensional ion channel systems},
  author={Bin Tu and Minxin Chen and Yan Xie and Linbo Zhang and Bob Eisenberg and Benzhuo Lu},
  journal={Journal of computational chemistry},
  volume={34 24},
A parallel finite element simulator, ichannel, is developed for ion transport through three-dimensional ion channel systems that consist of protein and membrane. The coordinates of heavy atoms of the protein are taken from the Protein Data Bank and the membrane is represented as a slab. The simulator contains two components: a parallel adaptive finite element solver for a set of Poisson-Nernst-Planck (PNP) equations that describe the electrodiffusion process of ion transport, and a mesh… CONTINUE READING
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