A QMMM–Based Computational Investigation on the Catalytic Mechanism of Saccharopine Reductase.docVIP

Molecules 2011, 16, 8569-8589; doi:10.3390/moleculeOPEN ACCESS molecules ISSN 1420–3049 /journal/molecules Article A QM/MM–Based Computational Investigation on the Catalytic Mechanism of Saccharopine Reductase Joel N. Almasi, Eric A.C. Bushnell and James W. Gauld * Department of Chemistry and Biochemistry, University of Windsor, Windsor, Ontario N9B 3P4, Canada * Author to whom correspondence should be addressed; E-Mail: gauld@uwindsor.ca; Tel.: +1-519-253-3000; Fax: +1-519-973-7098. Received: 5 September 2011; in revised form: 27 September 2011 / Accepted: 30 September 2011 / P