Molecular dynamics simulations give insight into d-glucose dioxidation at C2 and C3 by Agaricus meleagris pyranose dehydrogenase. - Michael M. H. Graf; Urban Bren; Dietmar Haltrich; Chris Oostenbrink (J. Comput. Aided Mol. Des., 2013)

Pyranose Dehydrogenase Ligand Promiscuity: A Generalized Approach to Simulate Monosaccharide Solvation, Binding, and Product Formation. - Michael M. H. Graf; Zhixiong Lin; Urban Bren; Dietmar Haltrich; Wilfred F. van Gunsteren; Chris Oostenbrink (PLoS Comput. Biol., 2014)

Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient sampling. - Michael M. H. Graf; Manuela Maurer; Chris Oostenbrink (J. Comput. Chem., 2016)