Marching cubes: A high resolution 3D surface construction algorithm
SIGGRAPH '87 Proceedings of the 14th annual conference on Computer graphics and interactive techniques
Three-dimensional alpha shapes
ACM Transactions on Graphics (TOG)
Fast and robust computation of molecular surfaces
Proceedings of the eleventh annual symposium on Computational geometry
A Generalization of Algebraic Surface Drawing
ACM Transactions on Graphics (TOG)
Computing Smooth Molecular Surfaces
IEEE Computer Graphics and Applications
Measuring proteins and voids in proteins
HICSS '95 Proceedings of the 28th Hawaii International Conference on System Sciences
Particle-based fluid simulation for interactive applications
Proceedings of the 2003 ACM SIGGRAPH/Eurographics symposium on Computer animation
Intelligent Feature Extraction and Tracking for Visualizing Large-Scale 4D Flow Simulations
SC '05 Proceedings of the 2005 ACM/IEEE conference on Supercomputing
Artifacts Caused by Simplicial Subdivision
IEEE Transactions on Visualization and Computer Graphics
Advanced illumination techniques for GPU volume raycasting
ACM SIGGRAPH ASIA 2008 courses
Multi-Scale Surface Descriptors
IEEE Transactions on Visualization and Computer Graphics
Computer Aided Geometric Design - Special issue: Applications of geometric modeling in the life sciences
Bioinformatics
CUDA-based triangulations of convolution molecular surfaces
Proceedings of the 19th ACM International Symposium on High Performance Distributed Computing
3D visualization of concentrations from stochastic agent-based signal transduction simulations
ISBI'10 Proceedings of the 2010 IEEE international conference on Biomedical imaging: from nano to Macro
Molecular surface mesh generation by filtering electron density map
Journal of Biomedical Imaging - Special issue on mathematical methods for images and surfaces
Parallel graph component labelling with GPUs and CUDA
Parallel Computing
Efficient High-Quality Volume Rendering of SPH Data
IEEE Transactions on Visualization and Computer Graphics
IEEE Transactions on Visualization and Computer Graphics
IEEE Transactions on Visualization and Computer Graphics
Voronoi-Based Extraction and Visualization of Molecular Paths
IEEE Transactions on Visualization and Computer Graphics
Object-space ambient occlusion for molecular dynamics
PACIFICVIS '12 Proceedings of the 2012 IEEE Pacific Visualization Symposium
Parallel Contour-Buildup algorithm for the molecular surface
BIOVIS '11 Proceedings of the 2011 IEEE Symposium on Biological Data Visualization
Dynamic channels in biomolecular systems: Path analysis and visualization
BIOVIS '12 Proceedings of the 2012 IEEE Symposium on Biological Data Visualization (BioVis)
Implicit surfaces for interactive graph based cavity analysis of molecular simulations
BIOVIS '12 Proceedings of the 2012 IEEE Symposium on Biological Data Visualization (BioVis)
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
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We present a coordinated-view application for the analysis of molecular surface features like cavities, channels and pockets. Our tool employs object-space ambient occlusion for the detection of such features and tracks them over time. It offers time-dependent graphs of metrics concerning those features and allows analyzing the temporal relationship of the features, i.e. when they (dis)appear, split or merge and which features participate in each of these events. The automated analysis process is performed in real time while the user interactively explores a dynamic data set. The system supports linking and brushing to allow for a user-guided visual analysis based on different aspects of the data. We demonstrate the effectiveness of our approach by applying it to data sets from biochemistry and report the insights that can be gained. We also evaluate the benefits of our method with respect to recent advancements in the field. The algorithmic pipeline leverages the computing power of modern GPUs, thus achieving interactive frame rates without any precomputation for fully dynamic data sets.