Enzymatic “tricks”: Carboxylate shift and sulfur shift

The Sulfur Shift: An Activation Mechanism for Periplasmic Nitrate Reductase and Formate Dehydrogenase

(2013) Nuno M. F. S. A. Cerqueira et al.   INORGANIC CHEMISTRY

Periplasmic nitrate reductases and formate dehydrogenases: Biological control of the chemical properties of Mo and W for fine tuning of reactivity, substrate specificity and metabolic role

(2012) Pablo J. Gonzalez et al.   COORDINATION CHEMISTRY REVIEWS

Computational enzymatic catalysis – clarifying enzymatic mechanisms with the help of computers

(2012) Sérgio Filipe Sousa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical studies on the reactivity of molybdenum enzymes

(2011) Sebastian Metz et al.   COORDINATION CHEMISTRY REVIEWS

The mechanism of formate oxidation by metal-dependent formate dehydrogenases

(2011) Cristiano S. Mota et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Computational Mechanistic Studies Addressed to the Transimination Reaction Present in All Pyridoxal 5′-Phosphate-Requiring Enzymes

(2011) N. M. F. S. A. Cerqueira et al.   Journal of Chemical Theory and Computation

The Crystal Structure of Cupriavidus necator Nitrate Reductase in Oxidized and Partially Reduced States

(2011) Catarina Coelho et al.   JOURNAL OF MOLECULAR BIOLOGY

The Search for the Mechanism of the Reaction Catalyzed by Farnesyltransferase

(2009) Sérgio Filipe Sousa et al.   CHEMISTRY-A EUROPEAN JOURNAL

Density functional theory study of model complexes for the revised nitrate reductase active site in Desulfovibrio desulfuricans NapA

(2009) Matthias Hofmann   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born−Oppenheimer ab Initio QM/MM Molecular Dynamics Study

(2009) Ruibo Wu et al.   Journal of Chemical Theory and Computation

The effect of the sixth sulfur ligand in the catalytic mechanism of periplasmic nitrate reductase

(2009) N. M. F. S. A. Cerqueira et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Enzymatic Reduction of Nitrate to Nitrite: Insight from Density Functional Calculations

(2009) Hujun Xie et al.   ORGANOMETALLICS

Computational Enzymatic Catalysis

(2008) Maria J. Ramos et al.   ACCOUNTS OF CHEMICAL RESEARCH

Periplasmic nitrate reductase revisited: a sulfur atom completes the sixth coordination of the catalytic molybdenum

(2008) Shabir Najmudin et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY