Welcome to the Theoretical Biophysics Group and the 2002 UIUC Engineering Open House! This group combines technology with science to make discoveries and predictions about the way the molecules of life work. The group's programmers develop a visualization program, VMD, and a simulation program, NAMD, that our scientists and others around the world use to study molecules. Today we will use VMD and NAMD to give you a tour of three molecular mechanisms that are essential for life.

How your genes are controlled: Each cell in your body has a complete copy of your DNA, which contains the blueprints for everything your body can do. However, since cells need to do different things at different times, so they contain machines for "turning off" the parts of the DNA that are not needed. We have been studying the most famous of these genetic controls, the lac operon (shown at right), using NAMD together with a mathematical model of the bending of DNA. The use of such models simplifies our computations and is often essential for understanding very complex molecular mechanisms.

You can learn more about this project at http://www.ks.uiuc.edu/Research/pro_DNA/elastic/.

Photosynthesis - plants' solar power source: The energy that powers our bodies comes from the sun, and most of the sunlight we use is first absorbed by the molecular structures like the one shown here: Photosystem I. Several members of the group are studying Photosystem I employing mathematical and computational techniques together with VMD. We hope to learn how evolution engineered such an efficient solar cell and what parts are important for the solar cell's operation.

You can learn more about this project at http://www.ks.uiuc.edu/Research/ps1/.

Cellular plumbing - how water flows into cells: Water is essential for life, and a good plumbing system is critical for the cell. We are studying the aquaporins, molecules that work as pipes, allowing water to pass through cell membranes. Using NAMD and VMD together, we observe the natural motion of these molecules. A virtual-reality device allows us to reach into the simulation and experiment with the molecules by hand. This method, Interactive Molecular Dynamics, gives researchers new insights into elaborate molecular systems.

You can learn more about this project at http://www.ks.uiuc.edu/Research/smd_imd/imd-glpf/.