Visualization of Lattice-Based Protein Folding Simulations

摘要

Analysis of the spatial structure of proteins including folding processes is a challenge for modern bioinformatics. Due to limited experimental access to folding processes, computer simulations are a standard approach. Since realistic continuous (all-atom) simulations are far too expensive, lattice based protein folding simulations are a common coarse-graining. In this paper, we present a visualization tool for lattice based protein folding simulations. The system is based on Shneiderman’s mantra "Overview first, zoom and filter, details on demand" and uses a collection of information visualization techniques including multiple views, focus+context and table lenses which have been tailored towards our data. We demonstrate the potential of information visualization techniques for providing insight into such simulations.