Funding Details

GA201/07/0927

January 1, 2007

December 31, 2009

GACR Czech Science Foundation

€67,000 (1,683,000 CZK)

Jiří Sochor

The structure of the protein is highly complex and contains up to several thousands of components. This means that various representations have to be used during the visualization. In many cases, more precise exploration and manipulation needs to emphasize selected details. Standard visualization methods are not able to display the details in a perceivable manner. For volumetric visualization, the importance-driven feature enhancement is being used. The principle of this technique is to display selected organs inside the body in a way that hides parts of different organs that cover the selected element but also shows the environment for better understanding. By using this technique, user can better perceive the spatial relations between the selected element and the rest of the whole body, particularly in the local area. This method is now used exclusively for the visualization of the volumetric data, but the principle could be used also during the visualization of the individual elements inside the protein.

The goal is to develop methods that allow a human-oriented intuitive orientation inside a protein structure and provide efficient tools for protein manipulation.

Specifically, we develop methods to search for an existing most widest and shortest tunnel from the active site of the protein to the surface. We are interested both in the maximal quality and speed. As the tunnels are dynamic, i.e. they evolve and change in time, the methods would combine the essential dynamics analysis with Voronoi based techniques for the selection and visualization of the most important tunnels.