A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19

por Tuerkova, Alzbeta, Zdrazil, Barbara
Publicado 2020

Effect of helical kink in antimicrobial peptides on membrane pore formation

por Tuerkova, Alzbeta, Kabelka, Ivo, Králová, Tereza, Sukeník, Lukáš, Pokorná, Šárka, Hof, Martin, Vácha, Robert
Publicado 2020

Data-Driven Ensemble Docking to Map Molecular Interactions of Steroid Analogs with Hepatic Organic Anion Transporting Polypeptides

por Tuerkova, Alzbeta, Ungvári, Orsolya, Laczkó-Rigó, Réka, Mernyák, Erzsébet, Szakács, Gergely, Özvegy-Laczka, Csilla, Zdrazil, Barbara
Publicado 2021

Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening

por Tuerkova, Alzbeta, Bongers, Brandon J., Norinder, Ulf, Ungvári, Orsolya, Székely, Virág, Tarnovskiy, Andrey, Szakács, Gergely, Özvegy-Laczka, Csilla, van Westen, Gerard J. P., Zdrazil, Barbara
Publicado 2022