I am studying mechanisms of proteins in the human body, such as G protein Ras p21, using the molecular dynamics simulation with AMBER and the ab initio MO method with Gaussian.
You can show the MPEG movie for Ras p21 and the active site.
In my current job, I am working to port the AMBER 5.0 to the Molecular Dynamics Machine (MDM) with MDGRAPE-2 boards. Incidentally, the MDM was awarded the Gordon Bell Prize at SC2000.