Welcome to the Structural Bioinformatics Group!
Synopsis of Our Activities
Our goal is to undertake bioinformatics-related research and education with emphasis on structural bioinformatics to improve our understanding of living systems. The interdisciplinary research spans a broad range of topics in Bio/Cheminformatics and Personalized Medicine with a special emphasis on understanding of the evolution, structure, function and interaction of chemicals, proteins and disease relationships.
We develop machine learning and computational models for prediction of chemical induced toxicity, off-targets as well as therapeutic targets. Overall, we accept the challenge to predict the results of in vitro experiments via computational modeling, simulation and screening to complement the principles of the 3Rs (Replacement, Reduction and Refinement). We believe that our research contributions and models could significantly reduce the numbers of experiments needed to estimate chemical toxicity and assessment of toxic doses of chemicals in rodents.
Along the way, we develop many resources for the community, for example:
- the WITHDRAWN database (2016)
- the Super Natural II database (2015)
- the Protox webserver (2014)
- the SuperPred webserver (2014)
- the SuperPain database (2014)
- the Transformer database (2014)
- the SynSysNet database (2013)
- the Promiscuous database (2011)
More information on our research activities as well as databases and applications developed in our group is available here.
We are now a part of the Charite Technology Transfer initiative. For more information please check the catalogue [PDF]
- 2017-03 Bioinf-teaching: Practical block module "Current questions in Structural bioinformatics" will take place from 13.03. until 22.03.2017. The preliminary meeting for the module will be on Monday, 06.03.2016 at 11am at Charite Campus Mitte. For more details, please go to Practical
- 2017-01 Publication: Bax/Bak-independent mitochondrial depolarization and reactive oxygen species induction by sorafenib overcome resistance to apoptosis in renal cell carcinoma in J Biol Chem
- 2016-09 - Publication:Computational methods for prediction of in vitro effects of new chemical structures in Journal of Cheminformatics
- 2016-09 Bioinf-teaching: Theoretical course (Kernmodul) "Current questions in Structural bioinformatics" will take place from 19.09. until 30.09.2016. The preliminary meeting for the module will be on Monday, 12.09.2016 at 11am at Charite Campus Mitte. For more details, please go to Upcoming Course
- 2016-02 - Publication: TRPC6 G757D Loss-of-Function Mutation Associates with FSGS in JASN
- 2016-02 - Publication: Chemical Proteomics Reveals Ferrochelatase as a Common Off-target of Kinase Inhibitors in ACS chemical biology
- 2016-03 Bioinf-teaching: Practical course "Analysis of physiological data - personalized medicine" will take place from 29.03. until 1.04.2016. The preliminary meeting for the module will be on Monday, 21.03.2016 at 11am at Charite Campus Mitte. For more details, please go to Personalized medicine
- For older news, see News Archive