Title
Real-time triangulation of molecular surfaces
Abstract
Protein consists of a set of atoms. Given a protein, the molecular surface of the protein is defined with respect to a probe approximating a solvent molecule. This paper presents an efficient, as efficient as the realtime, algorithm to triangulate the blending surfaces which is the most critical subset of a molecular surface. For the quick evaluation of points on the surface, the proposed algorithm uses masks which are similar in their concepts to those in subdivision surfaces. More fundamentally, the proposed algorithm takes advantage of the concise representation of topology among atoms stored in the β-shape which is indeed used in the computation of the blending surface itself. Given blending surfaces and the corresponding β-shape, the proposed algorithm triangulates the blending surfaces in O(c ċ m) time in the worst case, where m is the number of boundary atoms in the protein and c is the number of point evaluations on a patch in the blending surface.
Year
DOI
Venue
2007
10.1007/978-3-540-74472-6_5
international conference on computational science and its applications
Keywords
Field
DocType
point evaluation,critical subset,concise representation,blending surface,solvent molecule,boundary atom,real-time triangulation,molecular surface,quick evaluation,subdivision surface,proposed algorithm,voronoi diagram,real time
Mathematical optimization,Molecular surfaces,Molecule,Computer science,Algorithm,Atom,Triangulation,Subdivision surface,Triangulation (social science),Geometry,Computation
Conference
Volume
ISSN
Citations 
4705
0302-9743
3
PageRank 
References 
Authors
0.41
15
6
Name
Order
Citations
PageRank
Joonghyun Ryu114814.39
Rhohun Park2422.38
Jeongyeon Seo3353.60
Chongmin Kim430.41
Hyun Chan Lee5306.41
Deok-Soo Kim663359.12