A precise boundary element method for macromolecular transport properties

  title={A precise boundary element method for macromolecular transport properties},
  author={Sergio Aragon},
  journal={Journal of computational chemistry},
  volume={25 9},
A very precise boundary element numerical solution of the exact formulation of the hydrodynamic resistance problem with stick boundary conditions is presented. BEST, the Fortran 77 program developed for this purpose, computes the full transport tensors in the center of resistance or the center of diffusion for an arbitrarily shaped rigid body, including rotation-translation coupling. The input for this program is a triangulation of the solvent-defined surface of the molecule of interest, given… CONTINUE READING
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