Structural Bioinformatics Group

Software Course (Softwarepraktikum)

Combined similarity landscape approach to reveal new functions and/or off-target effects

The aim of this practical course is to analyze the structural similarity of compounds used in cancer treatment/research in both two-dimensional and three-dimensional spaces to reveal possible new functions and/or side-effects of known bioactive compounds.

Modeling pharmacokinetics of approved drugs

The aim of this project is to investigate the pharmacokinetics profiles of approved (currently marketed) drugs via simulation using various parameters. We hope that the conclusions would provide useful insights on improving the effectiveness and safety of drugs in the context of personalized/precision medicine.

  • Programming languages and software: Java/Python and KNIME
  • Short Introduction: Project Description

Big data approach to predict chemical toxicity

The aim of the project is to develop a data-driven approach to predict successes and failures of clinical trials. Project includes application of machine learning, pharmacophore techniques for elucidation of structural features responsible for particular toxicity. More details can be found in the project description.

  • Programming languages and software: Java/Python and KNIME
  • Short Introduction: Project Description