Balancing selectivity vs stability using molecular dynamics and umbrella sampling. - Jérémie Mortier; Elisabeth K. Nyakatura; Markus Miettinen; Carsten Baldauf; Gerhard Wolber; Beate Koksch (J. Cheminformatics, 2014)

Coiled-Coils in Phage Display Screening: Insight into Exceptional Selectivity Provided by Molecular Dynamics. - Jérémie Mortier; Elisabeth K. Nyakatura; Oliver Reimann; Susanne Huhmann; Jan O. Daldrop; Carsten Baldauf; Gerhard Wolber; Markus Miettinen; Beate Koksch (J. Chem. Inf. Model., 2015)

KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination. - Dominique Sydow; Paula Schmiel; Jérémie Mortier; Andrea Volkamer (J. Chem. Inf. Model., 2020)