Publications of S. Metz

Metz, S.; Thiel, W.: Theoretical studies on the reactivity of molybdenum enzymes. Coordination Chemistry Reviews 255, pp. 1085 - 1103 (2011)

Dieterich, J. M.; Werner, H. J.; Mata, R. A.; Metz, S.; Thiel, W.: Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations. Journal of Chemical Physics 132, 035101 (2010)

Metz, S.; Thiel, W.: QM/MM Studies of Xanthine Oxidase: Variations of Cofactor, Substrate, and Active-Site Glu802. Journal of Physical Chemistry B 114, pp. 1506 - 1517 (2010)

Metz, S.; Thiel, W.: A Combined QM/MM Study on the Reductive Half-Reaction of Xanthine Oxidase: Substrate Orientation and Mechanism. Journal of the American Chemical Society 131, pp. 14885 - 14902 (2009)

Metz, S.; Wang, D.; Thiel, W.: Reductive Half-Reaction of Aldehyde Oxidoreductase toward Acetaldehyde: A Combined QM/MM Study. Journal of the American Chemical Society 131, pp. 4628 - 4640 (2009)

Metz, S.: QM/MM Investigations on the Hydroxylation Reactions of Molybdopterin-containing Enzymes. Dissertation, 242 pp., Heinrich-Heine-Universität Düsseldorf, Düsseldorf (2009)