Computational geometry: an introduction
Computational geometry: an introduction
Power diagrams: properties, algorithms and applications
SIAM Journal on Computing
Pixel-planes 5: a heterogeneous multiprocessor graphics system using processor-enhanced memories
SIGGRAPH '89 Proceedings of the 16th annual conference on Computer graphics and interactive techniques
Linear programming and convex hulls made easy
SCG '90 Proceedings of the sixth annual symposium on Computational geometry
Journal of Computational Chemistry
An efficient approach to removing geometric degeneracies
SCG '92 Proceedings of the eighth annual symposium on Computational geometry
Three-dimensional alpha shapes
ACM Transactions on Graphics (TOG)
Weighted alpha shapes
Visualization, virtual reality, and animation within the data flow model of computing
ACM SIGGRAPH Computer Graphics - Special focus: modular visualization environments (MVEs)
Surveying molecular interactions with DOT
Supercomputing '95 Proceedings of the 1995 ACM/IEEE conference on Supercomputing
A perturbation scheme for spherical arrangements with application to molecular modeling
SCG '97 Proceedings of the thirteenth annual symposium on Computational geometry
Defining, Computing, and Visualizing Molecular Interfaces
VIS '95 Proceedings of the 6th conference on Visualization '95
Detection and Visualization of Anomalous Structures in Molecular Dynamics Simulation Data
VIS '04 Proceedings of the conference on Visualization '04
Dynamic maintenance of molecular surfaces under conformational changes
SCG '05 Proceedings of the twenty-first annual symposium on Computational geometry
Finding Patterns on Protein Surfaces: Algorithms and Applications to Protein Classification
IEEE Transactions on Knowledge and Data Engineering
Hierarchical molecular modelling with ellipsoids
Journal of Molecular Graphics
Geometry-guided computation of 3D electrostatics for large biomolecules
Computer Aided Geometric Design - Special issue: Applications of geometric modeling in the life sciences
Molecular surfaces on proteins via beta shapes
Computer-Aided Design
Quality mesh generation for molecular skin surfaces using restricted union of balls
Computational Geometry: Theory and Applications
Triangulation of molecular surfaces
Computer-Aided Design
A dynamic data structure for flexible molecular maintenance and informatics
2009 SIAM/ACM Joint Conference on Geometric and Physical Modeling
Real-time triangulation of molecular surfaces
ICCSA'07 Proceedings of the 2007 international conference on Computational science and its applications - Volume Part I
Three-dimensional beta-shapes and beta-complexes via quasi-triangulation
Computer-Aided Design
Parallel computation and interactive visualization of time-varying solvent excluded surfaces
Proceedings of the First ACM International Conference on Bioinformatics and Computational Biology
Adaptive real-time rendering for large-scale molecular models
ISVC'06 Proceedings of the Second international conference on Advances in Visual Computing - Volume Part II
Improved maintenance of molecular surfaces using dynamic graph connectivity
WABI'05 Proceedings of the 5th International conference on Algorithms in Bioinformatics
Visualization and analysis of protein structures using euclidean voronoi diagram of atoms
ICCSA'05 Proceedings of the 2005 international conference on Computational Science and Its Applications - Volume Part III
QTF: Quasi-triangulation file format
Computer-Aided Design
Visualization for the Physical Sciences
Computer Graphics Forum
Visual abstractions of solvent pathlines near protein cavities
EuroVis'08 Proceedings of the 10th Joint Eurographics / IEEE - VGTC conference on Visualization
Accelerated visualization of dynamic molecular surfaces
EuroVis'10 Proceedings of the 12th Eurographics / IEEE - VGTC conference on Visualization
Interactive exploration of protein cavities
EuroVis'11 Proceedings of the 13th Eurographics / IEEE - VGTC conference on Visualization
Interactive extraction and tracking of biomolecular surface features
EuroVis '13 Proceedings of the 15th Eurographics Conference on Visualization
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We consider how we set out to formulate a parallel analytical molecular surface algorithm that has expected linear complexity with respect to the total number of atoms in a molecule. To achieve this goal, we avoided computing the complete 3D regular triangulation over the entire set of atoms, a process that takes time O(n log n), where n is the number of atoms in the molecule. We aim to compute and display these surfaces at interactive rates, by taking advantage of advances in computational geometry, making further algorithmic improvements and parallelizing the computations.