January 1, 2010
December 31, 2012
New analysis methods for biochemical research of proteins will be developed in this project. Geometric features of dynamic models of proteins will be evaluated with aim to find and describe tunnels that interconnect active area inside the protein with the surface of the molecule. Qualities of tunnels such as surface, volume, or length will be statistically evaluated for extensive sets of images captured from simulation of protein dynamics. Results will be visualized to provide biochemists with overview and new information. Methods will also focus on interactions of small molecules (ligands) passing through potential tunnel, in space and time. New methods will be integrated into a tool called CAVER (developed at MU), which is currently used by biochemists around the world. This project is a continuation of the project GA201/07/0927 Visualization of protein structures from years 2007-2009.