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Welcome:
The Barnes group is a computational chemistry research group at Illinois State University led by Prof. George L. Barnes. We focus on modeling the dynamics of chemical reactions which take place within mass spectrometry, with a particular emphasis on the dissociation of polypeptides. Our molecular dynamics simulations reveal atomistic details concerning the reaction mechanism for peptide fragmentation in these high-energy collision systems. In particular, the group has shown that proton motion and non-covalent complexes play a crucial role in the dynamics and the overall products formed during dissociation events. As an example, the image above shows a non-covalent complex that forms during the surface induced dissociation of octaglycine due to hydrogen bonding between the peptide fragments. Prof. Barnes places a strong emphasis on undergraduate involvement in as many research projects as possible. If you attend Siena and are interested in research that bridges Chemistry, Physics, Math, and Computer Science, please contact Prof. Barnes! |