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Marc Röttig
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Marc Röttig

Room C326b, Sand 14
Tübingen , Germany 72076
Work: +49-7071-29-70464


  • Born in Stuttgart
  • 1998: Abitur at the Jugenddorf-Christophorus-Schule, Altensteig
  • 2000: Study in Bioinformatics at the Eberhard-Karls-Universität Tübingen
  • 2006: Diploma in Bioinformatics
  • since 2007 PhD-student at SBS-ZBIT


Research interests:


  • Structural biology: structure-function and structure-specificity relationship
  • Machine learning: PLS,SVM,MLR for QSAR and Classification
  • Drug Design: Drug selectivity modelling, Docking, Homology Modelling
  • Webservices,Webdevelopment




  • Marc Röttig, Marnix Medema, Kai Blin,  Tilmann Weber,  Christian Rausch and OliverKohlbacher (2011) (accepted)
    NRPSpredictor2 - a webserver for predicting NRPS adenylation domain specificity.
    In: Nucleic Acids Research Webserver Issue 2011
  • Marc Röttig, Christian Rausch, Oliver Kohlbacher (2010)
     Combining Structure and Sequence Information Allows Automated Prediction of Substrate Specificities Within Enzyme Families

     In: PLoS Computational Biology 6(1)

  • Carsten Henneges, Marc Röttig, Oliver Kohlbacher, Andreas Zell (2010)
     Graphlet Data Mining of Energetical Interaction Patterns in Protein 3D Structures

     In: ICNC2010 - International Conference on Neural Computation (pdf)


Presented posters





Supervised theses

  • Verena Schattel: Homology Modeling of MAP Kinases - implications for selectivity of inhibitors (completed)
  • Marcel Schumann: QSAR framework for BALL (completed)
  • Michael Betz: The water-problem in small molecule docking (completed)
  • Markus Zimmermann: Decision trees on kinase activity data (completed)
  • Kai Blin: Switching enzyme substrate specificity (completed)
  • Katharina Mülling: QSAR framework for BALL (SVM part) (completed)
  • Charlotta Schärfe: HPV and Cancer (running)




  • Structure-based drug design practical SS 07
  • Structure-based drug design practical WS 07/08
  • Structure-based drug design practical SS 08
  • Proseminar Structural Biology SS09
  • Programmierprojekt SS09
  • Structure-based drug design practical WS 09/10
  • Bioinformatik für Lebenswissenschaftler SS2010
  • Structure-based drug design practical WS 10/11
  • Bioinformatik für Lebenswissenschaftler SS2011