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Barbara Zdrazil
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Adverse outcome pathways: opportunities, limitations and open questions
M Leist, A Ghallab, R Graepel, R Marchan, R Hassan, SH Bennekou, ...
Archives of Toxicology 91, 3477-3505, 2017
3312017
The N terminus of monoamine transporters is a lever required for the action of amphetamines
S Sucic, S Dallinger, B Zdrazil, R Weissensteiner, TN Jřrgensen, M Holy, ...
Journal of Biological Chemistry 285 (14), 10924-10938, 2010
1552010
Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project
SE Escher, H Kamp, SH Bennekou, A Bitsch, C Fisher, R Graepel, ...
Archives of toxicology 93, 3643-3667, 2019
1162019
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods
B Zdrazil, E Felix, F Hunter, EJ Manners, J Blackshaw, S Corbett, ...
Nucleic acids research 52 (D1), D1180-D1192, 2024
652024
Scientific competency questions as the basis for semantically enriched open pharmacological space development
K Azzaoui, E Jacoby, S Senger, EC Rodríguez, M Loza, B Zdrazil, M Pinto, ...
Drug Discovery Today 18 (17-18), 843-852, 2013
642013
Artificial intelligence for natural product drug discovery
MW Mullowney, KR Duncan, SS Elsayed, N Garg, JJJ van der Hooft, ...
Nature Reviews Drug Discovery 22 (11), 895-916, 2023
532023
The rise and fall of a scaffold: a trend analysis of scaffolds in the medicinal chemistry literature
B Zdrazil, R Guha
Journal of Medicinal Chemistry 61 (11), 4688-4703, 2017
522017
The application of the open pharmacological concepts triple store (open PHACTS) to support drug discovery research
J Ratnam, B Zdrazil, D Digles, E Cuadrado-Rodriguez, JM Neefs, ...
PLoS One 9 (12), e115460, 2014
382014
Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning
F Montanari, B Zdrazil, D Digles, GF Ecker
Journal of cheminformatics 8, 1-13, 2016
362016
Moving targets in drug discovery
B Zdrazil, L Richter, N Brown, R Guha
Scientific reports 10 (1), 20213, 2020
352020
A binding mode hypothesis of tiagabine confirms liothyronine effect on γ-aminobutyric acid transporter 1 (GAT1)
A Jurik, B Zdrazil, M Holy, T Stockner, HH Sitte, GF Ecker
Journal of medicinal chemistry 58 (5), 2149-2158, 2015
342015
Annotating human P‐glycoprotein bioassay data
B Zdrazil, M Pinto, P Vasanthanathan, AJ Williams, LZ Balderud, ...
Molecular Informatics 31 (8), 599-609, 2012
332012
Differences in metformin and thiamine uptake between human and mouse organic cation transporter 1: structural determinants and potential consequences for intrahepatic …
MJ Meyer, A Tuerkova, S Römer, C Wenzel, T Seitz, J Gaedcke, S Oswald, ...
Drug Metabolism and Disposition 48 (12), 1380-1392, 2020
302020
Opioids as substrates and inhibitors of the genetically highly variable organic cation transporter OCT1
MJ Meyer, VE Neumann, HR Friesacher, B Zdrazil, J Brockmöller, ...
Journal of medicinal chemistry 62 (21), 9890-9905, 2019
272019
Identification of anticancer OATP2B1 substrates by an in vitro triple-fluorescence-based cytotoxicity screen
T Windt, S Tóth, I Patik, J Sessler, N Kucsma, Á Szepesi, B Zdrazil, ...
Archives of toxicology 93 (4), 953-964, 2019
262019
A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19
A Tuerkova, B Zdrazil
Journal of cheminformatics 12 (1), 71, 2020
232020
Exploiting open data: a new era in pharmacoinformatics
D Goldmann, F Montanari, L Richter, B Zdrazil, GF Ecker
Future medicinal chemistry 6 (5), 503-514, 2014
232014
Current advances in studying clinically relevant transporters of the solute carrier (SLC) family by connecting computational modeling and data science
A Türková, B Zdrazil
Computational and structural biotechnology journal 17, 390-405, 2019
212019
EMBL’s European bioinformatics Institute (EMBL-EBI) in 2022
M Thakur, A Bateman, C Brooksbank, M Freeberg, M Harrison, M Hartley, ...
Nucleic Acids Research 51 (D1), D9-D17, 2023
202023
New approach methods (NAMs) supporting read-across: Two neurotoxicity AOP-based IATA case studies
W Van der Stel, G Carta, J Eakins, J Delp, I Suciu, A Forsby, ...
ALTEX: Alternatives to Animal Experiments 38 (4), 615-635, 2021
192021
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