Scents and sense: In silico perspectives on olfactory receptors. - Charleen G. Don; Sereina Riniker (J. Comput. Chem., 2014)

Molecular Dynamics Simulations Reveal Structural Differences among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6. - André Fischer; Charleen G. Don; Martin Smiesko (J. Chem. Inf. Model., 2018)

Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations. - Charleen G. Don; Martin Smiesko (J. Chem. Inf. Model., 2020)