Molecular dynamics simulations and free energy calculations on the enzyme 4-hydroxyphenylpyruvate dioxygenase. - Stephanie B. A. De Beer; Alice Glättli; Johannes Hutzler; Nico P. E. Vermeulen; Chris Oostenbrink (J. Comput. Chem., 2011)

Free Energy Calculations Give Insight into the Stereoselective Hydroxylation of α-Ionones by Engineered Cytochrome P450 BM3 Mutants. - Stephanie B. A. De Beer; Harini Venkataraman; Daan P. Geerke; Chris Oostenbrink; Nico P. E. Vermeulen (J. Chem. Inf. Model., 2012)