Keaghan has been using a computer simulation to investigate the properties of complex molecules called heteropolymers. Heteropolymers are molecules with different types of chemical units, or “beads”, connected together to form a long chain. They include important biological molecules like DNA, proteins, and cell membranes, so research into their structural and dynamic properties has important medical implications.
These molecules can change their shape from a stretched out “random coil” configuration to a collapsed, compact state, depending on conditions such as temperature and the material they are dissolved in. Keaghan’s research project has been to investigate the collapse and freezing properties of single heteropolymers in a solvent using a computer simulation known as the discontinuous molecular dynamic simulation method. They are interested in how the complexity of the molecule can affect the temperature at which the molecule changes its shape. They will compare their results to other simulations and to theoretical predictions.
Student Research