Exploring Chemical Spaces in the Billion Range: Is Docking a Computational Alternative to DNA-Encoded Libraries? - Levente M. Mihalovits; Tibor Viktor Szalai; Dávid Bajusz; György M. Keserü (J. Chem. Inf. Model., 2024)

Effect of Water Networks On Ligand Binding: Computational Predictions vs Experiments. - Tibor Viktor Szalai; Dávid Bajusz; Rita Börzsei; Balázs Zoltán Zsidó; Janez Ilas; György G. Ferenczy; Csaba Hetényi; György M. Keserü (J. Chem. Inf. Model., 2024)

Ultrahigh-Throughput Virtual Screening Strategies against PPI Targets: A Case Study of STAT Inhibitors. - Tibor Viktor Szalai; Nikolett Péczka; Levente Sipos-Szabó; László Petri; Dávid Bajusz; György M. Keserü (J. Chem. Inf. Model., 2025)