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Kolblab Lab. Docking, Chemoinformatics, Molecular dynamics
Institut für Pharmazeutische Chemie, Marbacher Weg 6-10, 35032 Marburg

Docking, Macro domains, Cheminformatics, homology modeling, PRMTs


In silico, cheminformatics


Docking, homology modeling, MD simulations

Collaborations outside COST

Uta-Maria Bauer, Tilman Borggrefe

Short description of ongoing research projects

Identification of natural ligands for macro domains; inhibitor search for various targets ranging from GPCRs and kinases to macro domains and PRMTs

  1. J Yin, J Mobarec, P Kolb, DM Rosenbaum Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant. Nature 2015, 519, 247-250
  2. D Schmidt, V Bernat, R Brox, N Tschammer, and P Kolb Identifying Modulators of CXC Receptors 3 and 4 with Tailored Selectivity using Multi-Target Docking. ACS Chem. Biol. 2015, 10, 715-724
  3. J Gunera, P Kolb Fragment-based similarity searching with infinite color space. J. Comput. Chem. 2015, doi: 10.1002/jcc.23974
  4. P Kolb, K Phan, Z Gao, AC Marko, A Sali, and KA Jacobson Limits of ligand selectivity from docking to models: In silico screening for A 1 adenosine receptor antagonists. PLOS ONE 2012, 7, e49910
  5. P Kolb, DM Rosenbaum, JJ Irwin, J Fung, BK Kobilka, and BK Shoichet Structure-based discovery of β2 -adrenergic receptor ligands. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 6843-6848
Other activities of potential interest to others

Chair of COST Action CM1207

Cost UE