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Barbara's main research interests are concentrated on Data Science & Computational Molecular Design.

 

FWF Stand-Alone Project

Find more information on Barbara's stand-alone project "Elucidating hepatic OATP-ligand interactions and selectivity" (P 29712) here!

Publications

Showing entries 0 - 5 out of 43

Escher, SE, Kamp, H, Bennekou, SH, Bitsch, A, Fisher, C, Graepel, R, Hengstler, JG, Herzler, M, Knight, D, Leist, M, Norinder, U, Ouédraogo, G, Pastor, M, Stuard, S, White, A, Zdrazil, B, van de Water, B & Kroese, D 2019, 'Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project', Archives of Toxicology, vol. 93, no. 12, pp. 3643-3667. doi.org/10.1007/s00204-019-02591-7


Windt, T, Tóth, S, Patik, I, Sessler, J, Kucsma, N, Szepesi, Á, Zdrazil, B, Özvegy-Laczka, C & Szakács, G 2019, 'Identification of anticancer OATP2B1 substrates by an in vitro triple-fluorescence-based cytotoxicity screen', Archives of Toxicology, vol. 93, no. 4, pp. 953–964. doi.org/10.1007/s00204-019-02417-6


Activities

Showing entries 0 - 5 out of 7

Linking multiscale data analyses, ligand- and structure-based modeling to explore ligand interactions with hepatic organic anion transporting polypeptides

Alzbeta Türková , Barbara Zdrazil
ACS National Meeting & Expo, Conference, Talk or oral contribution
26.8.2019 - 26.8.2019

Exploring Conformational Space of Hepatic Uptake Transporters via Normal Mode Simulations

Alzbeta Türková , Barbara Zdrazil
Gordon Research Seminar on Computer Aided Drug Design, Conference, Talk or oral contribution
13.7.2019 - 13.7.2019

Wozu brauchen wir Medikamente?

Barbara Zdrazil , Eva Hellsberg
Kinderuni Wien 2018, Seminar/Workshop, Talk or oral contribution
9.7.2018 - 21.7.2018

Revealing Important Molecular Fragments in Drug Discovery Using Time Trend Analyses

Barbara Zdrazil
11th International Conference on Chemical Structures (ICCS), Conference, Talk or oral contribution
30.5.2018 - 30.5.2018

Data mining the open medicinal chemistry literature: From selectivity profiling to time-trend analyses and beyond

Barbara Zdrazil
Talk or oral contribution
30.11.2017 - 30.11.2017