Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a
large variety of proteins. Characteristics of individual transport pathways, including their …

The biological function of a macromolecule often requires that a small molecule or ion is
transported through its structure. The transport pathway often leads through void spaces in …

We have developed an algorithm," MOLE," for the rapid, fully automated location and
characterization of molecular channels, tunnels, and pores. This algorithm has been made …

Abstract Evaluation of protein models against the native structure is essential for the
development and benchmarking of protein structure prediction methods. Although a number …

Heterogeneous multicore architectures have the potential to improve energy efficiency by
integrating power-efficient wimpy cores with high-performing brawny cores. However, it is an …

The paper presents an algorithm for calculating the three‐dimensional Voronoi–Delaunay
tessellation for an ensemble of spheres of different radii (additively‐weighted Voronoi …

The Voronoi diagram of balls, corresponding to atoms of van der Waals radii, is particularly
well‐suited for the analysis of three‐dimensional structures of biological macromolecules …

Close collaboration with other scientific fields is an important goal for the visualization
community. Yet engaging in a scientific collaboration can be challenging. The physical …

It is well-known that the Voronoi diagram of points and the power diagram for weighted
points, such as spheres, are cell complexes, and their respective dual structures, ie the …

Visual analysis is widely used to study the behavior of molecules. Of particular interest are
the analysis of molecular interactions and the investigation of binding sites. For large …