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 | 310 | 2017 |
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 | 150 | 2010 |
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 | 94 | 2019 |
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 | 61 | 2013 |
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 | 47 | 2017 |
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 | 35 | 2014 |
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 | 33 | 2015 |
Moving targets in drug discovery B Zdrazil, L Richter, N Brown, R Guha Scientific reports 10 (1), 20213, 2020 | 32 | 2020 |
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), 1-13, 2016 | 32 | 2016 |
Annotating human P‐glycoprotein bioassay data B Zdrazil, M Pinto, P Vasanthanathan, AJ Williams, LZ Balderud, ... Molecular Informatics 31 (8), 599-609, 2012 | 32 | 2012 |
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 | 28 | 2020 |
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 | 23 | 2019 |
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 | 23 | 2019 |
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 | 23 | 2014 |
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), 1-20, 2020 | 21 | 2020 |
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 | 20 | 2019 |
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 | 17 | 2023 |
Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns D Digles, B Zdrazil, JM Neefs, H Van Vlijmen, C Herhaus, A Caracoti, ... Medchemcomm 7 (6), 1237-1244, 2016 | 17 | 2016 |
Probing the selectivity of monoamine transporter substrates by means of molecular modeling A Seddik, M Holy, R Weissensteiner, B Zdrazil, HH Sitte, GF Ecker Molecular informatics 32 (5-6), 409, 2013 | 17 | 2013 |
Similarity‐Based Descriptors (SIBAR) as Tool for QSAR Studies on P‐Glycoprotein Inhibitors: Influence of the Reference Set B Zdrazil, D Kaiser, S Kopp, P Chiba, GF Ecker QSAR & Combinatorial Science 26 (5), 669-678, 2007 | 17 | 2007 |