Interactive multi-resolution modeling on arbitrary meshes
Proceedings of the 25th annual conference on Computer graphics and interactive techniques
On the definition and the construction of pockets in macromolecules
Discrete Applied Mathematics - Special volume on computational molecular biology DAM-CMB series volume 2
QSplat: a multiresolution point rendering system for large meshes
Proceedings of the 27th annual conference on Computer graphics and interactive techniques
Principles of CAD/CAM/CAE Systems
Principles of CAD/CAM/CAE Systems
Region-expansion for the Voronoi diagram of 3D spheres
Computer-Aided Design
Euclidean Voronoi diagram of 3D balls and its computation via tracing edges
Computer-Aided Design
Euclidean voronoi diagrams of 3d spheres: their construction and related problems from biochemistry
IMA'05 Proceedings of the 11th IMA international conference on Mathematics of Surfaces
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The area of molecular biology opens new applications for the communities of computer graphics, geometric modeling and computational geometry. It has been a usual understanding that the structure of a molecule is one of the major factors determining the functions of the molecule and therefore the efforts to better understand the molecular structure have been made. It turns out that the analysis and the prediction of the spatial structure of a molecule usually takes a significant amount of computation even though the number of atoms involved in the molecule is relatively small. Examples are the protein-ligand docking, protein folding, etc. In many molecules, however, the number of atoms is quite large. The number of atoms in the system varies from hundreds to thousands of thousand. The problem size gets even larger by both incorporating more details of a model and expanding the scope of the model from a single protein to a whole cell. This trend will continue as the computational resource gets more powerful and therefore the computational requirement will always remain critical. In this paper, we propose a multi-resolution model for a protein (MRPM) to find a seemingly optimal trade-off between the computational requirement and the solution quality. There are two aspects of the proposal: The avoidance of computation and the delay of computation until it is really necessary.