Identifying new topoisomerase II poison scaffolds by combining publicly available toxicity data and 2D/3D-based virtual screening. - Anna Lovrics; Veronika F. S. Pape; Dániel Szisz; Adrián Kalászi; Petra Heffeter; Csaba Magyar; Gergely Szakács (J. Cheminformatics, 2019)

Data-Driven Ensemble Docking to Map Molecular Interactions of Steroid Analogs with Hepatic Organic Anion Transporting Polypeptides. - Alzbeta Türková; Orsolya Ungvári; Réka Laczkó-Rigó; Erzsébet Mernyák; Gergely Szakács; Csilla Özvegy-Laczka; Barbara Zdrazil (J. Chem. Inf. Model., 2021)

Pharmacodynamics modeling based on in vitro 2D cell culture experiments. - Borbála Gergics; Balázs Gombos; Flóra Vajda; András Füredi; Gergely Szakács; Dániel András Drexler (SMC, 2022)

Experimental Closed-Loop Control of Breast Cancer in Mice. - Levente Kovács; Bence Czakó; Máté Siket; Tamás Ferenci; András Füredi; Balázs Gombos; Gergely Szakács; Dániel András Drexler (Complex., 2022)

Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening. - Alzbeta Türková; Brandon J. Bongers; Ulf Norinder; Orsolya Ungvári; Virág Székely; Andrey Tarnovskiy; Gergely Szakács; Csilla Özvegy-Laczka; Gerard J. P. van Westen; Barbara Zdrazil (J. Chem. Inf. Model., 2022)

Modeling the development of drug resistance during chemotherapy treatment. - Marcello Pompa; Dániel András Drexler; Simona Panunzi; Balázs Gombos; András Füredi; Gergely Szakács; Levente Kovács; Andrea De Gaetano (CDC, 2024)

Positive Impulsive Control of Tumor Therapy - A Cyber-Medical Approach. - Levente Kovács; Tamás Ferenci; Balázs Gombos; András Füredi; Imre J. Rudas; Gergely Szakács; Dániel András Drexler (IEEE Trans. Syst. Man Cybern. Syst., 2024)