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Atomistic Visualization of Mesoscopic Whole-Cell Simulations
(The Eurographics Association, 2012)
Molecular visualizations are a principal tool for analyzing the results of biochemical simulations. With modern GPU ray casting approaches it is only possible to render several millions of atoms at interactive frame rates ...
Rendering Molecular Surfaces using Order-Independent Transparency
(The Eurographics Association, 2013)
In this paper we present a technique for interactively rendering transparent molecular surfaces. We use Puxels, our implementation of per-pixel linked lists for order-independent transparency rendering. Furthermore, we ...
Comparative Visualization of Molecular Surfaces Using Deformable Models
(The Eurographics Association and John Wiley and Sons Ltd., 2014)
The comparison of molecular surface attributes is of interest for computer aided drug design and the analysis of biochemical simulations. Due to the non-rigid nature of molecular surfaces, partial shape matching is feasible ...
Line Integral Convolution for Real-Time Illustration of Molecular Surface Shape and Salient Regions
(The Eurographics Association and John Wiley and Sons Ltd., 2014)
We present a novel line drawing algorithm that illustrates surfaces in real-time to convey their shape. We use line integral convolution (LIC) and employ ambient occlusion for illustrative surface rendering. Furthermore, ...
Interactive Extraction and Tracking of Biomolecular Surfaces Features
(The Eurographics Association and Blackwell Publishing Ltd., 2013)
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 ...
Molecular Sombreros: Abstract Visualization of Binding Sites within Proteins
(The Eurographics Association, 2019)
We present a novel abstract visualization for the binding sites of proteins. Binding sites play an essential role in enzymatic reactions and are, thus, often investigated in structural biology. They are typically located ...
Interactive CPU-based Ray Tracing of Solvent Excluded Surfaces
(The Eurographics Association, 2019)
Depictions of molecular surfaces such as the Solvent Excluded Surface (SES) can provide crucial insight into functional molecular properties, such as the molecule's potential to react. The interactive visualization of ...
Analyzing Protein Similarity by Clustering Molecular Surface Maps
(The Eurographics Association, 2020)
Many biochemical and biomedical applications like protein engineering or drug design are concerned with finding functionally similar proteins, however, this remains to be a challenging task. We present a new imaged-based ...