Catalytic Mechanism and Covalent Inhibition of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA): Implications to the Design of Novel Antibacterials. - Levente M. Mihalovits; György G. Ferenczy; György M. Keserü (J. Chem. Inf. Model., 2019)

Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations. - Levente M. Mihalovits; György G. Ferenczy; György M. Keserü (J. Chem. Inf. Model., 2020)

Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices. - Anita Rácz; Levente M. Mihalovits; Dávid Bajusz; Károly Héberger; Ramón Alain Miranda-Quintana (J. Chem. Inf. Model., 2022)

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)