Isopenicillin N synthase catalyzes the biosynthesis of isopenicillin N, a precursor to ߖlactam antibiotic production. Using a QM:MM ONIOM model chemistry, we have investigated the reaction pathways describing competing mechanisms involved in this chemistry. The latest results exploring the potential energy surface for this reaction process will be discussed.

Reaction path studies of isopenicillin N synthase catalysis

244th National Meeting (2012)

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