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List of recent publications

  • R. Körner, J. Apostolakis
  • Determination of Reaction Mappings and Reaction Center Information: The Imaginary Transition State Energy approach.J. Chem. Inf. Model.,48 (6), 1181â1189, 2008.
  • J. Apostolakis, O. Sacher, R. Körner , J. Gasteiger
  • Automatic Determination of Reaction Mappings and Reaction Center Information II: Validation on a Biochemical Reaction Database. J Chem Inf Model,48 (6), 1190â1198, 2008.
  • Jörn Marialke, Simon Tietze, Joannis Apostolakis
  • Similarity based docking. J Chem Inf Model. 2008 Jan-Feb;48(1):186-96
  • Andreas Steffen, Joannis Apostolakis.
  • On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes. Chem Cent J. 2007 Nov 15; 1:29
  • Stefan Zahler,Simon Tietze, Frank Totzke, Michael Kubbutat, Laurent Meijer, Angelika M. Vollmar, andJoannis Apostolakis
  • Inverse in silico screening of 5/6/67 substituted Halogenoindirubins reveals PDK1 as target. Chem. Biol. 2007 Nov;14(11):1207-14
  • Andreas Steffen, Maximilian Karasz, Carolin Thiele, Thomas Lengauer, Andreas Kämper, Gerhard Wenz*,Joannis Apostolakis
  • Combined Similarity and QSPR Virtual Screening for Guest Molecules of β-Cyclodextrin, New Journal of Chemistry, 2007, 31, 1941-1949, DOI: 10.1039/b707856k
  • Böhl M, Tietze S, Sokoll A., Madathil S., Pfennig F., Apostolakis J., Fahmy K., Gutzeit H.O.
  • Flavonoids affect actin functions in cytoplasm and nucleus, Biophys J. 2007 Oct 15;93(8):2767-80.
  • Andreas Steffen, Carolin Thiele, Simon Tietze , Christian Strassnig, Andreas Kaemper, Thomas Lengauer, Gerhard Wenz, Joannis Apostolakis.
  • Improved cyclodextrin based receptors for camptothecin by inverse virtual screening. Chemistry 2007;13(24):6801-9.
  • 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, J Chem Inf Model. 2007 Jul-Aug;47(4):1657-72.
  • Marialke J, Korner R, Tietze S, Apostolakis J.
  • Graph-Based Molecular Alignment (GMA). Journal of Chemical Information and Modelling. 2007 Mar-Apr;47(2):591-601.
  • Kamper A, Apostolakis J., Rarey M, Marian CM, Lengauer T.
  • Fully automated flexible docking of ligands into flexible synthetic receptors using forward and inverse docking strategies. Journal of Chemical Information and Modelling. 2006 Mar-Apr;46(2):903-11.
  • K. Fundel, D.Güttler, R. Zimmer and J. Apostolakis
  • A simple approach for protein name identication: prospects and limits. BMC Bioinformatics. 2005;6 Suppl 1:S15. Epub 2005 May 24.