Structural Bioinformatics Group

Welcome to AG Preissner

Our Research Activities

As an interdisciplinary research group, we focus on multiple research topics in fields of bio/cheminformatics and personalized medicine. Our primary interests are in understanding the structure, function and interaction of chemicals with therapeutic and off-targets. By applying a wide range of cheminformatics methods including chemical similarity approaches, molecular docking and simulations, we propose hypotheses to answer complex questions in drug discovery. We develop in silico models to predict the target landscape of small molecules relevant in cancer research and for other pharmaceutically relevant endpoints (cardiotoxicity, hepatotoxicity etc.). With an aim to serve the research community, we developed several bio- and cheminformatics databases and web servers (listed below). Using our knowledge base and toolchain, we analyze health care data in order to propose recommendations to improve decision making in clinical practices, and develop computational methods to contribute to the state-of-the-art in the research field.

Our group is part of the Charité Technology Transfer initiative. For more information, please check the catalogue.

List of bio/cheminformatics databases and web servers developed at our group (selected):

An extensive list of resources can be found here.

Latest News

  • 2018-05 - Our article "Drugs as habitable planets in the space of dark chemical matter" got featured on Science Trends.
  • 2018-03 - Bioinf-teaching: Practical block module 'Current Questions in Structural Bioinformatics' will take place from 12.03. until 22.03.2018. The preliminary meeting for the module will be on Monday, 12.03.2018 at 10.00 am at Charite Campus Mitte. For more details, please go to Practical Course
  • 2017-12 - Publication: The target landscape of clinical kinase drugs; Published in Science; doi: Science-Link
  • 2017-11 - Publication: SuperDRUG2: A One Stop Resource for Approved/Marketed Drugs; Published in NAR; doi: gkx1088
  • 2017-11 - Publication: mVOC 2.0: a database of microbial volatiles; Published in NAR; doi: gkx1016
  • For older news, see News Archive