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.
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Latest Paper
Combining In Vivo Data with In Silico Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction.
Sankalp Jain, Ulf Norinder, Sylvia E. Escher, and Barbara Zdrazil
Chemical Research in Toxicology DOI: 10.1021/acs.chemrestox.0c00511
