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Visual Abstractions of Solvent Pathlines near Protein Cavities
(The Eurographics Association and Blackwell Publishing Ltd., 2008)
Water is known to play a crucial role in protein structure, flexibility and activity. The use of molecular dynamics simulations allows detailed studies of complex protein-solvent interactions. Cluster analysis and density-based ...
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 ...
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 ...