Dr. Barbara Murray

My main research area is computational chemistry of biologically active molecules.

Using sophisticated computer software, computational chemists look at the three-dimensional shape of a molecule. The shape and the electrostatic potential of its outer boundary determine how that molecule works in a living system.

One can study a series of drugs such as NSAIDs and make predictions about which one should work best. This allows a pharmaceutical chemist to make better drugs in less time and for lower cost.

I am also quite involved in chemical education research in an attempt to find better ways to help students learn.