Christian Klein

Professor Department of Life Sciences

  • Computer-Aided Drug Design
  • Biochemical Systems Theory
  • Molecular Modeling and Chemoinformatics
  • Hundsberger, H., Stierschneider, A., Sarne, V., Ripper, D., Schimon, J., Weitzenböck, H. P., Schild, D., Jacobi, N., Eger, A., Atzler, J., Klein, C. T., & Wiesner, C. (2021): Concentration-Dependent Pro- and Antitumor Activities of Quercetin in Human Melanoma Spheroids: Comparative Analysis of 2D and 3D Cell Culture Models. Molecules (Basel, Switzerland), 26(3): 717.

    Doi: https://doi.org/10.3390/molecules26030717
  • Ablinger, C., Geisler, S. M., Stanika, R. I., Klein, C. T., & Obermair, G. J. (2020): Neuronal α2δ proteins and brain disorders. Pflugers Archiv : European journal of physiology, 472(7): 845-863.

    Doi: https://doi.org/10.1007/s00424-020-02420-2
  • Jacobi, N., Smolinska, V., Seeboeck, R., Stierschneider, A., Klein, C., Hofmann, E., Wiesner, C., Mohr, T., Oender, K., Lechner, P., Kaiser, H., Hundsberger, H., Eger, A. (2017): 3D Anti-Cancer drug discovery models: A promising approach for precision medicine. In IMC Fachhochschule Krems GmbH (Hrsg.), Online-Tagungsband FHK Forschungsforum 2017. Krems: FFH.

  • Hundsberger, H., Koppensteiner, A., Hofmann, E., Ripper, D., Pflüger, M., Stadlmann, V., Klein, C. T., Kreiseder, B., Katzlinger, M., Eger, A., Forster, F., Missbichler, A., & Wiesner, C. (2017): A Screening Approach for Identifying Gliadin Neutralizing Antibodies on Epithelial Intestinal Caco-2 Cells. SLAS discovery : advancing life sciences R & D, 22(8): 1035–1043.

    Doi: https://doi.org/10.1177/2472555217697435
  • Volk, K., Breunig, S. D., Rid, R., Herzog, J., Bräuer, M., Hundsberger, H., Klein, C., Müller, N., & Önder, K. (2017): Structural analysis and interaction studies of acyl-carrier protein (acpP) of Staphylococcus aureus, an extraordinarily thermally stable protein. Biological chemistry, 398(1): 125-133.

    Doi: https://doi.org/10.1515/hsz-2016-0185
  • Hofmann, E., Seeboeck, R., Jacobi, N., Obrist, P., Huter, S., Klein, C., Oender, K., Wiesner, C., Hundsberger, H., & Eger, A. (2016): The combinatorial approach of laser-captured microdissection and reverse transcription quantitative polymerase chain reaction accurately determines HER2 status in breast cancer. Biomarker research, 7(4): 8.

    Doi: https://doi.org/10.1186/s40364-016-0062-7
  • Jacobi, N., Smolinska, V., Stierschneider, A., Klein, C., Oender, K., Lechner, P., Kaiser, H., Hundsberger, H., Eger, A. (2016): Development of organotypic cancer models for the identification of individualized cancer therapies. In FH des BFI Wien (Hrsg.), Online-Tagungsband FHK Forschungsforum 2016. Wien: FFH.

  • Solca, F., Dahl, G., Zoephel, A., Bader, G., Sanderson, M., Klein, C.T., Kraemer, O., Himmelsbach, F., Haaksma, E., Adolf, G. R. (2012): Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker. Journal of Pharmacology and Experimental Therapeutics, 343(2): 342-350.

    Doi: https://doi.org/10.1124/jpet.112.197756
  • Klein, C.T., Kaiser, D., Ecker, G. (2004): 3D Topolgical Distance-Based Descriptors for Use in QSAR and Diversity Analysis. Journal of Chemical Information and Computer Sciences, 44(1): 200-209.

    Doi: https://doi.org/10.1021/ci0256236
  • Klein, C.T., Kaiser, D., Kopp, S., Chiba, P., Ecker, G. (2002): Similarity-Based SAR as Tool for Early ADME Profiling. Journal of Computer-Aided Molecular Design, 16: 785-793.

    Doi: https://doi.org/10.1023/A:1023828527638
  • Klein, C.T., Kaiblinger, N., Wolschann, P. (2002): Internally Defined Distances in 3D-Quantitative Structure-Activity Relationships. Journal of Computer-Aided Molecular Design, 16: 79-93.

    Doi: https://doi.org/10.1023/A:1016308417830
  • Mayer, B., Klein, C.T. (2000): Influence of Solvation on the Helix Forming Tendency of Nonpolar Amino Acids. Journal of Molecular Structure: THEOCHEM, 532(1-3): 213-226.

    Doi: https://doi.org/10.1016/S0166-1280(00)00559-5
  • Buchbauer, G., Klein, C.T., Wailzer, B., Wolschann, P. (2000): Threshold-Based Structure-Activity Relationships of Pyrazines with Bell Pepper Flavor. Journal of Agricultural and Food Chemistry, 48(9): 4273-4278.

    Doi: https://doi.org/10.1021/jf000192h
  • Klein, C.T., Polheim, D., Viernstein, H., Wolschann, P. (2000): A Method for Estimation of the Free Energies of Complexation between ß-Cyclodextrin and Guest Molecules. Journal of Inclusion Phenomena, 36(4): 409-423.

    Doi: https://doi.org/10.1023/A:1008063412529
  • Klein, C.T., Pircher, H., Wailzer, B., Buchbauer, G., Wolschann, P. (2000): Quantitative Structure-Property Study on Pyrazines with Bell Peper Flavor. Scientific Pharmaceutica, 68(1): 41-56.

    Doi: https://doi.org/10.3797/scipharm.aut-00-04
  • Klein, C.T., Lawtrakul, L., Hannongbua, S., Wolschann, P. (2000): Accessible Charges as Sensitive Descriptors in Structure-Activity Relationships. A Study on HEPT-based HIV-1 RT Inhibitors. Scientific Pharmaceutica, 68(1): 25-40.

    Doi: https://doi.org/10.3797/scipharm.aut-00-03
  • Klein, C.T., Viernstein, H., Wolschann, P. (2000): Free Energy Prediction of Complexation between ß-Cyclodextrin and Guest Molecules: External Predictivity of MR and PLS Models. Scientific Pharamaceutica, 68(1): 15-24.

    Doi: https://doi.org/10.3797/scipharm.aut-00-02
  • Klein, C.T., Polheim, D., Viernstein, H., Wolschann, P. (2000): Predicting the Free Energies of Complexation between Cyclodextrins and Guest Molecules: Linear versus Nonlinear Models. Pharamaceutical Research, 17: 358-365.

    Doi: https://doi.org/10.1023/A:1007565409407
  • Mayer, B., Klein, C.T., Köhler, G. (1999): Selective Assembly of Cyclodextrins on Poly(ethylene oxide) Poly(propylene oxide) Copolymers. Journal of Computer-Aided Molecular Design, 13: 373-383.

    Doi: https://doi.org/10.1023/A:1008095501870
  • Klein, C.T., Mayer, B. (1999): Sources for Switches and Structure Formation in Metabolic Pathways. Biosystems, 51(1): 41-52.

    Doi: https://doi.org/10.1016/S0303-2647(99)00012-X
  • Klein, C.T., Mayer, B., Köhler, G., Wolschann, P. (1998): Systematic Stepsize Variation: An Efficient Method for Searching the Conformational Space of Polypeptides. Journal of Computational Chemistry, 19(13): 1470-1481.

    Doi: https://doi.org/10.1002/(SICI)1096-987X(199810)19:13<1470::AID-JCC4>3.0.CO;2-N
  • Klein, C.T. (1998): Hysteresis-Driven Pattern Formation in Biochemical Networks. Journal of Theoretical Biology, 194(2): 263-274.

    Doi: https://doi.org/10.1006/jtbi.1998.0757
  • Mayer, B., Marconi, G., Klein, C.T., Köhler, G., Wolschann, P. (1997): Structural Analysis of Host–Guest Systems. Methyl-substituted Phenols in beta;-Cyclodextrin. Journal of inclusion phenomena and molecular recognition in chemistry, 29: 79-93.

    Doi: https://doi.org/10.1023/A:1007920606983
  • Klein, C.T., Mayer, B. (1997): A Model for Pattern Formation in Gap-Junction Coupled Cells. Journal of Theoretical Biology, 186(1): 107-115.

    Doi: https://doi.org/10.1006/jtbi.1996.0337
  • Grabner, G., Monti, S., Marconi, G., Mayer, B., Klein, C.T., Köhler, G. (1997): Spectroscopic and Photochemical Study of Inclusion Complexes of Dimethoxybenzenes with Cyclodextrins. The Journal of Physical Chemistry , 100(51): 20068-20075.

    Doi: https://doi.org/10.1021/jp962231r
  • Marconi, G., Mayer, B., Klein, C.T., Köhler, G. (1996): The structure of higher order C60-fullerene-γ-cyclodextrin complexes. Chemical Physics Letters, 260(5-6): 589-594.

    Doi: https://doi.org/10.1016/0009-2614(96)00915-3
  • Köhler, G., Grabner, G., Klein, C.T., Marconi, G., Mayer, B., Monti, S., Rechthaler, K., Rotkiewicz, K., Viernstein, H., Wolschann, P. (1996): Structure and spectroscopic Properties in Cyclodextrin Inclusion Complexes. In Szejtli, J., Szente, L. (Hrsg.), Proceedings of the Eighth International Symposium on Cyclodextrins (215-220). Budapest, Hungary: Springer, Dordrecht.

    Doi: https://doi.org/10.1007/978-94-011-5448-2_46
  • Klein, C.T., Mayer, B., Köhler, G., Wolschann, P. (1996): Influence of solvation on helix formation of poly-alanine studied by multiple annealing simulations. Journal of Molecular Structure: THEOCHEM, 372(1): 33-43.

    Doi: https://doi.org/10.1016/S0166-1280(96)04745-8
  • Klein, C. T., & Seelig, F. F. (1995): Turing structures in a system with regulated gap-junctions. Bio Systems, 35(1): 15–23.

    Doi: https://doi.org/10.1016/0303-2647(94)01478-p
  • Klein, C.T., Mayer, B., Köhler, G., Mraz, K., Reiter, S., Viernstein, H., Wolschann, P. (1995): Solubility and Molecular Modeling of Triflumizole-ß-cyclodextrin Inclusion Complexes. Journal of inclusion phenomena and molecular recognition in chemistry, 22: 15–32.

    Doi: https://doi.org/10.1007/BF00706495