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)

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)