Complex Portal 2018: extended content and enhanced visualization tools for macromolecular complexes BHM Meldal, H Bye-A-Jee, L Gajdoš, Z Hammerová, A Horáčková, ... Nucleic acids research 47 (D1), D550-D558, 2019 | 87 | 2019 |
Effect of helical kink in antimicrobial peptides on membrane pore formation A Tuerkova, I Kabelka, T Králová, L Sukeník, Š Pokorná, M Hof, R Vácha Elife 9, e47946, 2020 | 54 | 2020 |
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 | 30 | 2020 |
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 | 22 | 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 | 21 | 2019 |
Identifying novel inhibitors for hepatic organic anion transporting polypeptides by machine learning-based virtual screening A Tuerkova, BJ Bongers, U Norinder, O Ungvári, V Székely, A Tarnovskiy, ... Journal of Chemical Information and Modeling 62 (24), 6323-6335, 2022 | 14 | 2022 |
Integrative data mining, scaffold analysis, and sequential binary classification models for exploring ligand profiles of hepatic organic anion transporting polypeptides A Türková, S Jain, B Zdrazil Journal of chemical information and modeling 59 (5), 1811-1825, 2018 | 13 | 2018 |
Structural dissection of 13-epiestrones based on the interaction with human Organic anion-transporting polypeptide, OATP2B1 R Laczkó-Rigó, R Jójárt, E Mernyák, É Bakos, A Tuerkova, B Zdrazil, ... The Journal of steroid biochemistry and molecular biology 200, 105652, 2020 | 10 | 2020 |
Data-driven ensemble docking to map molecular interactions of steroid analogs with hepatic organic anion transporting polypeptides A Tuerkova, O Ungvári, R Laczkó-Rigó, E Mernyák, G Szakács, ... Journal of Chemical Information and Modeling 61 (6), 3109-3127, 2021 | 9 | 2021 |
Computational methods to study enveloped viral entry A Tuerkova, PM Kasson Biochemical Society Transactions 49 (6), 2527-2537, 2021 | 1 | 2021 |
An Integrative Drug Repurposing Pipeline Using KNIME and Programmatic Data Access: A Case Study on COVID-19 Data A Tuerkova, B Zdrazil | 1 | 2020 |
OCT1 of mice and men: Differences in metformin and thiamine uptake-Structural causes and potential clinical consequences for hepatic metformin concentrations MJ Meyer, A Tuerkova, S Roemer, C Wenzel, T Seitz, J Gaedcke, ... NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY 394 (SUPPL 1), S11-S11, 2021 | | 2021 |
Linking multiscale data analyses, ligand-and structure-based modeling to explore ligand interactions with hepatic organic anion transporting polypeptides A Tuerkova, S Jain, U Norinder, C Oezvegy-Laczka, G Szakacs, B Zdrazil ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Systematic pipeline for automated structure-based molecular design: Beyond the static picture of hepatic organic anion transporting polypeptides A Tuerkova, B Zdrazil ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Kink in Helical Peptides Affects Membrane Pore Formation A Turkova, I Kabelka, T Kralova, L Sukenik, S Pokorna, M Hof, R Vacha Biophysical Journal 116 (3), 512a, 2019 | | 2019 |
Data integration and fragment analysis reveal important structural motifs for ligand selectivity among hepatic organic anion transporting polypeptides A Tuerkova, B Zdrazil ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
Vliv peptidového ohybu na formování membránových pórů A Türková Masarykova univerzita, Přírodovědecká fakulta, 2017 | | 2017 |
Differences in metformin and thiamine uptake between human and mouse organic cation transporters OCT1: structural determinants and potential consequences for intrahepatic … MJ Meyer, A Tuerkova, S Römer, C Wenzel, T Seitz, J Gaedcke, S Oswald, ... Effects of ligand structure, amino acid substitutions, and species …, 0 | | |