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» Molecular Surface Decomposition Using Graphical Modeling
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BILDMED
2008
13 years 6 months ago
Molecular Surface Decomposition Using Graphical Modeling
: We decompose molecular surfaces which are in the form of Van der Waals model into a structure adapted for mesh-free modeling. Our focus is on the generation of spherical patches ...
H. Maharavo Randrianarivony, Guido Brunnett
VISUALIZATION
2005
IEEE
13 years 10 months ago
Quality Mesh Generation for Molecular Skin Surfaces Using Restricted Union of Balls
Quality surface meshes for molecular models are desirable in the studies of protein shapes and functionalities. However, there is still no robust software that is capable to gener...
Ho-Lun Cheng, Xinwei Shi
VIS
2004
IEEE
170views Visualization» more  VIS 2004»
14 years 6 months ago
Guaranteed Quality Triangulation of Molecular Skin Surfaces
We present an efficient algorithm to mesh the macromolecules surface model represented by the skin surface defined by Edelsbrunner. Our algorithm overcomes several challenges resi...
Ho-Lun Cheng, Xinwei Shi
COMPGEOM
2003
ACM
13 years 10 months ago
Molecular shape analysis based upon the morse-smale complex and the connolly function
Docking is the process by which two or several molecules form a complex. Docking involves the geometry of the molecular surfaces, as well as chemical and energetical consideration...
Frédéric Cazals, Frédé...
CCCG
1998
13 years 6 months ago
Dynamic maintenance and visualization of molecular surfaces
Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary re...
Chandrajit L. Bajaj, Valerio Pascucci, Robert J. H...