We are addressing fundamental biological and biomedical questions by integrating large-scale data analyses, bioactivity profiling, and computational modeling (both ligand- and structure-based). By applying computational molecular design techniques together with data science approaches, a timely and effective way of utilizing the available (open) data to answer the biomedical question is always part of our research strategy. Putting the question from the molecular level into a larger (data) context delivers a more comprehensive picture of the biological event.
Latest Paper
Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project. Sylvia E Escher, Hennicke Kamp, Susanne H Bennekou, Annette Bitsch, Ciarán Fisher, Rabea Graepel, Jan G Hengstler, Matthias Herzler, Derek Knight, Marcel Leist, Ulf Norinder, Gladys Ouédraogo, Manuel Pastor, Sharon Stuard, Andrew White, Barbara Zdrazil, Bob van de Water, Dinant Kroese
Arch Toxicol. 2019 Nov 28; DOI:10.1007/s00204-019-02591-7
News & Activities
Barbara defended her habilitation thesis “Interconnecting Data Sciene and Computational Molecular Design – From data annotation and bioactivity profiling to the analysis of large chemical space” successfully on Dec 16, 2019. Here are some impressions…..
The audience was listening with great interest and we had nice party afterwards.
Barbara with her new Dr. habil. cup that she got as a present from her fantastic colleagues 🙂
