%0 Journal Article
%A Quan, Chaoyu
%A Stamm, Benjamin
%T Meshing molecular surfaces based on analytical implicit representation
%J Journal of molecular graphics and modelling
%V 71
%@ 1093-3263
%C New York, NY [u.a.]
%I Elsevier
%M FZJ-2017-04538
%P 200 - 210
%D 2017
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000394062800020
%R 10.1016/j.jmgm.2016.11.008
%U https://juser.fz-juelich.de/record/834630