Alternative mechanisms for the operation of the Isopenicillin N synthase enzymewill be examined using ONIOM with electronic embedding.  The emphasis will beon comparing reaction paths and the resulting reaction rates for theintermediate steps along the alternative proposed pathways.

Reaction mechanism for Isopenicillin-N synthase

243rd National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.