Research highlights
Recent work by Peter Warburton
and Ray Poirier has looked at defining both
atoms and bonds in molecules by looking at the radial electron density. Continuing work in this direction
will lead to new techniques in molecular modeling that are anticipated to significantly speed up many molecular modeling
calculation types.
The research group of Travis Fridgen is exploring
the interactions of metal ions with biomolecules and the fundamental
forces which give biomolecules their three-dimensional shape. Graduate
and undergraduate research student's in Dr. Fridgen's group are using
state-of-the-art instrumentation, combining ion-trapping mass
spectrometry with tunable infrared lasers to spectroscopically probe the
structures of these ions in the gas phase.
Recently (DOI:
10.1021/jp809993k) they have shown that solvating metal-ion bound
DNA bases results in a huge structural change, promoting intramolecular
hydrogen bonding.