Molecular dynamics simulations are a principal tool for studying molecular systems. Such simulations are used to investigate molecular structure, dynamics, and thermodynamical properties, as well as a replacement for, or ...

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 ...

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 ...

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 ...

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 ...

We present a novel visualization method for mono- and dipolar molecular simulations from thermodynamics that takes advantage of modern graphics hardware to interactively render specifically tailored glyphs. Our approach ...