Rational Design of Iron Enzymes for Modular C-H Substitution Reactions.Enzymes fulfill a growing demand for catalysts that are powerful, selective, and sustainable. For example, the non-heme iron enzyme superfamily selectively functionalizes unactivated C-H bonds, a chemical holy grail not yet achieved by synthetic catalysts on an industrial scale. We implement computational, bioinorganic, and chemical biology techniques to understand the function and mechanisms of these enzymes. With this knowledge, we rationally design these catalysts to broaden their reactivity and substrate scope in order to create the next wave of sustainable biocatalysts.This research program is sponsored by National Science Foundation (CBET and CLP)
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