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@ARTICLE{Quan:834630,
      author       = {Quan, Chaoyu and Stamm, Benjamin},
      title        = {{M}eshing molecular surfaces based on analytical implicit
                      representation},
      journal      = {Journal of molecular graphics and modelling},
      volume       = {71},
      issn         = {1093-3263},
      address      = {New York, NY [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2017-04538},
      pages        = {200 - 210},
      year         = {2017},
      abstract     = {We develop an algorithm for meshing molecular surfaces that
                      is based on patch-wise meshing using an advancing-front
                      method adapted to the particular case of molecular surfaces.
                      We focus on the solvent accessible surface (SAS) and the
                      solvent excluded surface (SES). The essential ingredient is
                      a newly developed analysis of such surfaces in [18] that
                      allows to describe all SES-singularities a priori and
                      therefore a complete characterization of the SES. In
                      addition, an algorithm for filling molecular inner holes is
                      proposed based on the pre-computed data structures of
                      molecular surfaces.},
      cin          = {IAS-5 / INM-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
      pnm          = {574 - Theory, modelling and simulation (POF3-574)},
      pid          = {G:(DE-HGF)POF3-574},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000394062800020},
      doi          = {10.1016/j.jmgm.2016.11.008},
      url          = {https://juser.fz-juelich.de/record/834630},
}