Much of the last week I spent at Sanibel Symposium. The Sanibel Symposium is an international scientific conference in quantum chemistry, solid-state physics, and quantum biology. It has been organized by the Quantum Theory Project at the University of Florida in Gainesville, Florida, every winter since 1960. It was founded by Per-Olov Löwdin who was involved in its organization every year from 1960 to his death in 2000. The Symposium is noted for its long history and for the breadth of both the participants and the presentations and considered as “highly respected regular conference” in a field.
This year was my first Sanibel meeting. I am really excited, that my work on classical molecular dynamics simulation of bacterial nitroreductase enzyme has been awarded by IBM–Löwdin memorial fellowship.

The picture above represents front view of nitroreductase with vector projections of PCA component #1. Backbone coloring corresponds to empirical deformation energy per residue. Overall, our simulation of the inhibited enzyme shows increased flexibility of H6 helix (symmetric wings with largest vector projections on picture). These motions may represent a mechanism for accommodating varied substrates.
4th March, 2009 Comments Off
