Stefan Zahler, Simon Tietze, Frank Totzke, Michael Kubbutat, Laurent Meijer, Angelika M. Vollmar, Joannis Apostolakis.
Inverse in silico screening of 5/6/67 substituted Halogenoindirubins reveals PDK1 as target.
Chem. Biol., vol 14, no. 11, pp. 1207-1214, 2007.
Markus Böhl, Simon Tietze, Andrea Sokoll, Sineej Madathil, Frank Pfennig, Joannis Apostolakis, Karim Fahmy, Herwig O. Gutzeit.
Flavonoids Affect Actin Functions in Cytoplasm and Nucleus.
Biophysical Journal, vol 93, no. 8, pp. 2767-2780, 2007.
Andreas Steffen, Carolin Thiele, Simon Tietze, Christian Strassnig, Andreas Kämper, Thomas Lengauer, Gerhard Wenz, Joannis Apostolakis.
Improved Cyclodextrin-Based Receptors for Camptothecin by Inverse Virtual Screening.
Chemistry 2007, vol 13, no. 24, pp. 6801-6809, 2007.
Simon Tietze, Joannis Apostolakis.
GlamDock: Development and Validation of a New Docking Tool on Several Thousand Protein−Ligand Complexes.
Journal of Chemical Information and Modelling, vol 47, no. 4, pp. 1657–1672, 2007.
Simon Tietze, Jörn Marialke, Robert Körner, Joannis Apostolakis.
Graph-Based Molecular Alignment (GMA).
Journal of Chemical Information and Modelling, vol 47, no. 2, pp. 591-601, 2007.
Joannis Apostolakis, Jörn Marialke, Robert Körner, Simon Tietze.
Predicting activated conformations of substrates in enzyme binding sites.
15th Annual International Conference on Intelligent Systems for Molecular Biology (ISMB) and 6th European Conference on Computational Biology (ECCB), 2007.