Research Abstracts Online
2008 - March 2009
St. Olaf College
Department of Chemistry
PI: Robert Hanson
Quaternion Analysis for Molecular Dynamics
Using the molecular dynamics program AMBER and the open-source Java molecular visualization program Jmol, these researchers are looking at how the binding of ligands and the flexibility of protein chains can be analyzed using quaternions. The researchers are testing the hypothesis that the positional range or flexibility of amino acids in the binding site of a protein will be related to binding affinity, and that quaternion differences can be utilized as a direct measure of the constraints inherent to protein-ligand binding.
Sean Johnston, Undergraduate Student