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)