Dr. George Barnes
299.002Independent Honor Study In Chemistry
499.002Independent Research For The Master's Thesis
290.002Research in Chemistry
490.002Research In Chemistry
Research Interests & Areas
My research focuses on modeling chemical reactions that occur in experimental tandem mass spectrometry, with a particular emphasis on elucidating the dissociation mechanisms of polypeptides. Molecular dynamics simulations reveal atomistic details concerning the reaction mechanism for peptide fragmentation in these high-energy collision systems. Graph theory is then employed to elucidate reaction mechanisms. In particular, the Barnes 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.