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Research
.............................CPO.....................................................................TOP/DNA..................................................NGB................................................................
Research in the Chatfield lab applies QM, MD, and QM/MM techniques to understand macromolecular systems. Our longest-standing project is aimed at understanding the catalytic cycle of chloroperoxidase (CPO). More recently we began investigating the redox switch behavior of human neuroglobin (NGB) and the small-molecule-binding properties of cytoglobin. We are also investigating the DNA cleavage-and-religation mechanism of topoisomerase (TOP), a target for antibiotic therapies.