Eduard Schreiner

Home Department: Theoretical and Computational Biophysics Group
Beckman Institute
405 N. Mathews
Urbana, IL 61801

Office Address: Room 3161

Office Phone: (217) 244 4361

Fax: (217) 244 6078

Email Address: eschrein@ks.uiuc.edu

Education

  • 2007: Doctoral studies at Graduate School of Chemistry and Biochemistry at the Ruhr-University Bochum
    PhD Thesis: Biochemical Aspects of Iron-Sulfur Systems: Magnetostructural Properties of Ferredoxins and Prebiotic Peptide Synthesis Involving Pyrite
  • 2003: University Studies in Biochemistry at Ruhr-University Bochum
    Thesis (Diplomarbeit): Temperature Dependent Folding of the Elastin Model GVG(VPGVG)

Research Interests

  • Underlying principles and mechanistic details of the ribosome function
  • Modeling of biological systems at different levels of theoretical description
  • Molecular interactions at interfaces, in particular the dynamic interplay
    • of protein and water
    • of protein and its substrates (e.g. protein-protein interactions, enzymatic reactions, receptors, channels etc.)
    • of solid surfaces and adsorbates
  • Investigation of reaction mechanisms at surface/water interfaces and in bulk water
  • Heterogeneous catalysis
  • The impact of high temperature and pressure on reaction mechanisms in aqueous environments
  • Chemical visualization

Publications

  • N. N. Nair, E. Schreiner, R. Pollet, V. Staemmler, and D. Marx, Magnetostructural Dynamics with the Extended Broken Symmetry Formalism: Antiferromagnetic [2Fe-2S] Complexes, J. Chem. Theory Comput., (accepted).
  • E. Schreiner, N. N. Nair, and D. Marx, Influence of Extreme Thermodynamic Conditions and Pyrite Surfaces on Peptide Synthesis in Aqueous Media, J. Am. Chem. Soc. (Communication), 130, 2768-2770 (2008).
    DOI: 10.1021/ja7108085
  • E. Schreiner, N. N. Nair, V. Staemmler and D. Marx, Dynamical magnetostructural properties of Anabaena ferredoxin, Proc. Natl. Acad. Sci., 104, 20725-20730 (2007).
    DOI: 10.1073/pnas.0706740104
  • N. N. Nair, E. Schreiner, and D. Marx, Glycine at the Pyrite-Water Interface: The Role of Surface Defects, J. Am. Chem. Soc., 128, 13815-13826 (2006).
    DOI: 10.1021/ja063295a
  • M. Baer, E. Schreiner, A. Kohlmeyer, R. Rousseau and D. Marx, Inverse temperature transition of a biomimetic elastin model: reactive flux analysis of folding / unfolding and its coupling to solvent dielectric relaxation, J. Phys. Chem. B, 110, 3576-3587 (2006).
    DOI: 10.1021/jp054805a
  • R. Rousseau, E. Schreiner, A. Kohlmeyer, and D. Marx, Temperature-Dependent Conformational Transitions and Hydrogen-Bond Dynamics of the Elastin-Like Octapeptide GVG(VPGVG): A Molecular-Dynamics Study, Biophys. J., 86, 1393-1407 (2004).
  • E. Schreiner, C. Nicolini, B. Ludolph, R. Ravindra, N. Otte, A. Kohlmeyer, R. Rousseau, R. Winter, and D. Marx, Folding and Unfolding of an Elastinlike Oligopeptide: "Inverse Temperature Transition", Reentrance, and Hydrogen-Bond Dynamics, Phys. Rev. Lett., 92, 148101 (2004).
    DOI: 10.1103/PhysRevLett.92.148101

  • N. N. Nair, E. Schreiner, and D. Marx Glycine at the Pyrite/Water Interface: An Ab Initio Metadynamics Study in G. Münster, D. Wolf, M. Kremer (Eds.), NIC Symposium 2008, 101-108, John von Neumann Institute for Computing, Research Center Jülich (2008).
  • C. Boehme, E. Schreiner, and D. Marx, Glycine at the Water/Pyrite Interface Under Extreme Pressure/Temperature Conditions, in E. Krause, W. Jäger, and M. Resch (Eds.), High Performance Computing in Science and Engineering '04, 349-356, Springer, Germany (2005).
  • E. Schreiner, Interactive Realtime Vizualization of the Behavior of Complex Chemical Systems in R. Esser (Ed.), Beiträge zum Wissenschaftlichen Rechnen. Ergebnisse des Gaststudentenprogramms 2002 des John von Neumann-Instituts für Computing, 51-60, John von Neumann Institute for Computing, Research Center Jülich (2002).
footer