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Univ.-Prof. Dr. Gerhard Ecker

Head of group

His main research interests are ligand- and structure-based drug design with focus on transmembrane transport proteins, prediction of on- and off-kinetics, as well as semantic data integration.

Contact hours for students: Monday 13:00, UZA2, 2E405 (please send an E-mail to arrange an appointment at least three days in advance!)

Phone: +43-1-4277-55110

eFax: +43-1-4277-855110

E-Mail: gerhard.f.ecker@univie.ac.at



Mag. pharm. Dr. Lars Richter, Postdoc

During his doctoral studies he gained a deep insight into structure-based methodologies, such as homology modeling and molecular docking. Currently he is more involved in research activities using chemoinformatics tools and infering knowledge from data. These skills are particularly applied in the K4DD IMI project.

Phone: +43-1-4277-55113

E-Mail: lars.richter@univie.ac.at 

DI (FH) Dr. Daniela Digles, Postdoc

Daniela is currently working in the Open PHACTS project. She is involved in target classification (especially transporters) and testing of the Open PHACTS Discovery Platform

Phone: +43-1-4277-55113

E-Mail: daniela.digles@univie.ac.at

DI Dr. Melanie Grandits, Postdoc

Melanie has gained a deep insight into molecular dynamics simulations and docking methods during her doctoral studies. Currently she is using these techniques to study the human P-glycoprotein by investigating the kinetics as part of the K4DD project.

Phone: +43-1-4277-55113

E-Mail: melanie.grandits@univie.ac.at

Mag. pharm. Dr. Barbara Zdrazil, Postdoc

Barbara's main research interests are concentrated on data mining and data integration for answering complex drug discovery questions across multiple domains, the concepts of polypharmacology and selectivity, as well as ligand- and structure based modelling techniques with a focus on off-targets (such as ABC transporters, Organic Anion Transporting Polypetides etc.).

E-Mail: barbara.zdrazil@univie.ac.at



Anna Cseke, MSc., PhD student

Anna is currently participating in a project which investigates the inhibitor selectivity of newly synthesized compounds for the BCRP and P-gp ABC multidrug transporters.

Phone: +43-1-4277-55572

E-Mail: anna.cseke@univie.ac.at 

Mag. pharm. Eva Hellsberg, PhD student

Eva is working on the SLC6 transporters SERT and DAT which are responsible for neurotransmitter transport in the brain. Understanding the molecular mechanism why some interacting ligands inhibit the natural neurotransmitter reuptake and others cause a rapid release of the same is of special interest. The project is embedded in the moltag PhD program.

Phone: +43-1-4277-55112

E-Mail: eva.hellsberg@univie.ac.at

Floriane Montanari, PhD student

Floriane is working on human liver ABC transporters, focusing essentially on BCRP inhibition. Predictive ligand-based models and homology modelling will shed light on the mechanism of inhibition of those transporters. A comparative study of inhibition of other liver transporters will help understanding the specificity and promiscuity of some inhibitors.

Phone: +43-1-4277-55112

E-Mail: floriane.montanari@univie.ac.at

Sankalp Jain, MSc., PhD student

Currently he is working with ABC transporter. He is developing predictive in-silico models (regression and classification models) by applying different machine learning techniques. He is also doing homology modelling for Multidrug resistance protein 3 and would be subsequently doing some docking studies also.

Phone: +43-1-4277-55113

E-Mail: sankalp.jain@univie.ac.at

Mag. pharm. Stefanie Kickinger, PhD student

Stefanie is working on homology models for the GABA transporter (GAT). These models are used to explain structure activity relationship of GAT inhibitors. In the future, she will aslo focus on GABAA receptor and GAT selectivity profiling. 

Phone: +43-1-4277-55112

E-Mail: stefanie.kickinger@gmail.com

Eleni Kotsampasakou, MSc., PhD student

After developing in silico models for organic anion transporting polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) inhibition, Eleni tries to combine liver transporter interaction profiles and physicochemical properties to generate classification models for hepatotoxicity endpoints: hyperbilirubinemia, cholestasis and drug-induced liver injury.

Phone: +43-1-4277-55112

E-Mail: eleni.kotsampasakou@univie.ac.at

Mag. pharm. Doris A. Schütz, PhD student

Doris is working on structure-kinetics-realationships, applying mainly machine learning methods.
She will also participate in the K4DD EU-project.

Phone: +43-1-4277-55113

E-Mail: doris.schuetz@univie.ac.at

Jana Gurinova, Diploma student

Jana is working within the EU-ToxRisk project focusing on toxicity prediction by using workflows and integrating data from various resources. She became familiar with workflows during her diploma thesis during which she analyzed targets involved in orphan diseases.

Phone: +43-1-4277-55113

E-Mail: jana.gurinova@univie.ac.at

Simon Decker

Simon is currently testing newly in silico designed BCRP and P-gp inhibitors in in vitro essays for their potency.

E-Mail: sdecker1@gmx.net 

Jakob Hager

Administration Assistent

E-Mail: jakob.hager@univie.ac.at

Bernhard Knasmüller, BSc.

Bernhard is a computer science Master student and has developed the data management system for the K4DD EU-project, where he is now responsible for maintaining that system and providing data analysis tools for the other project members. Currently he is also focusing on the automation of chemoinformatics workflows and their integration into web services.

E-Mail: bernhard.knasmueller@univie.ac.at

Lea Koinig, BSc

System Administration

E-Mail: lea.koinig@univie.ac.at

Kevin Kühn

Administration Assistent

E-Mail: kevin.kuehn@univie.ac.at

Pharmacoinformatics Research Group
Univ.-Prof. Dr. Gerhard F. Ecker
Department für Pharmazeutische Chemie
Universität Wien

Althanstraße 14
1090 Wien
T: +43-1-4277-551 10
F: +43-1-4277-855110
University of Vienna | Universitätsring 1 | 1010 Vienna | T +43-1-4277-0