TY - JOUR
T1 - Model the Solvent-Excluded Surface of 3D Protein Molecular Structures Using Geometric PDE-Based Level-Set Method
AU - Qing Pan & Xue-Cheng Tai
JO - Communications in Computational Physics
VL - 4
SP - 777
EP - 792
PY - 2009
DA - 2009/06
SN - 6
DO - http://doi.org/
UR - https://global-sci.org/intro/article_detail/cicp/7705.html
KW - 
AB - <p style="text-align: justify;">This paper presents an approach to model the solvent-excluded surface (SES)
of 3D protein molecular structures using the geometric PDE-based level-set method.
The level-set method embeds the shape of 3D molecular objects as an isosurface or
level set corresponding to some isovalue of a scattered dense scalar field, which is
saved as a discretely-sampled, rectilinear grid, i.e., a volumetric grid. Our level-set
model is described as a class of tri-cubic tensor product B-spline implicit surface with
control point values that are the signed distance function. The geometric PDE is evolved
in the discrete volume. The geometric PDE we use is the mean curvature specified
flow, which coincides with the definition of the SES and is geometrically intrinsic. The
technique of speeding up is achieved by use of the narrow band strategy incorporated
with a good initial approximate construction for the SES. We get a very desirable approximate
surface for the SES.</p>