Zdrazil B

Artificial intelligence for natural product drug discovery.

Mullowney MW, Duncan KR, Elsayed SS, ..., Robinson SL, Medema MH

Nat Rev Drug Discov 22 (11) 895-916 [2023-11-00; online 2023-09-11]

DDLS Fellow Laura Carroll

ELIXIR and Toxicology: a community in development.

Martens M, Stierum R, Schymanski EL, ..., Županič A, Willighagen EL

F1000Res 10 (-) - [2023-10-03; online 2023-10-03]

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

Tuerkova A, Bongers BJ, Norinder U, ..., van Westen GJP, Zdrazil B

J Chem Inf Model 62 (24) 6323-6335 [2022-12-26; online 2022-03-11]

ELIXIR and Toxicology: a community in development

Martens M, Stierum R, Schymanski EL, ..., Županič A, Willighagen EL

F1000Res 10 (-) 1129 [2021-11-08; online 2021-11-08]

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

Tuerkova A, Ungvári O, Laczkó-Rigó R, ..., Özvegy-Laczka C, Zdrazil B

J Chem Inf Model 61 (6) 3109-3127 [2021-06-28; online 2021-06-09]