Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3. - Parveen Gartan; Fahimeh Khorsand; Pushpak Mizar; Juha Ilmari Vahokovski; Luis F. Cervantes; Bengt Erik Haug; Ruth Brenk; Charles L. Brooks III; Nathalie Reuter (J. Chem. Inf. Model., 2024)

Core Flipping in Lead Optimization: Rank Ordering Using λ-Dynamics. - Parveen Gartan; Charles L. Brooks III; Nathalie Reuter (J. Chem. Inf. Model., 2025)