Head of the Group

Dr. rer. nat. Matthias Stein, M.Sc.
Dr. rer. nat. Matthias Stein, M.Sc.
Phone: +49 391 6110 436
Fax: +49 391 6110 403

Contact Person

Stephanie Geyer
Stephanie Geyer
Phone: +49 391 6110 461
Fax: +49 391 6110 551

Group page


Publications MSD group

Talk (26)

  1. 2015
    Stein, M.: Protein‐electrode interactions in microbial fuel cells: routes and rates of electron transfer. 1st International Solar Fuels Conference (ISF-1), Uppsala, Sweden (2015)
  2. Stein, M.: Hydrogen Conversion by Earth-­‐Abundant Catalysts. ECOSTBIO: Third scientific workshop, Belgrade, Serbia (2015)
  3. Stein, M.: Biological and Bio-inspired Hydrogen Converting Catalysts. Einstein Workshop on Sustainable Chemical Transformations with Homogeneous Catalysts, Berlin, Germany (2015)
  4. 2014
    Buchholz, H. K.; Hylton, R.; Stein, M.; Lorenz, H.; Price, S. L.; Seidel-Morgenstern, A.: Solubility determination of chiral substances using calculated crystal lattice energies. ESAT 2014 - 27th European Symposium on Applied Thermodynamics, Eindhoven, The Netherlands (2014)
  5. Stein, M.: Microbial hydrogen conversion in the presence of oxygen. Umeå Renewable Energy Meeting 2014, Umeå, Sweden (2014)
  6. Stein, M.: Hydrogen conversion in the presence of oxygen. Interface between experimental and theoretical approaches to energy-related enzyme catalysis, University College London, UK (2014)
  7. Stein, M.: Enzymatic Spin States. ECOSTBio Scientific Workshop, Girona, Italy (2014)
  8. 2013
    Durdagi, S.; Samira, Y.; Stein, M.: Protein-Protein Docking Analysis and Refinement of the Ubiquitin- and Tetraubiquitin-associated IkBa/NF-kB Complex. 27th Molecular Modeling Workshop, Erlangen, Germany (2013)
  9. Durdagi, S.; Yazdi, S.; Stein, M.: Analysis of Protein-Protein Interactions of the Site-specific Mono and tetra-Ubiquitin-associated IκBα / NF-κB Complexes. 6th Theoretical Biophysics Symposium 2013, Gothenburg, Sweden (2013)
  10. Durdagi, S.; Randal, T.; Duff, H. J.; Noskov, S. Y.: Rehabilitation Studies for Withdrawn Drugs from the Market Using Multi-Scale Modeling Approaches. Rehabilitation Studies for Withdrawn Drugs from the Market Using Multi-Scale Modeling Approaches, Istanbul, Turkey (2013)
  11. Salmas, R. E.; Durdagi, S.; Stein, M.; Yurtsever, M.: Dopamin (D2) Reseptorünün Aktif ve Aktif Olmayan Fonformasyonlarının Protein Modelleme Teknikleri ile Geliştirilmesi ve Şizofreni İlaçları İle Olan Etkileşimlerinin Aydınlatılması. 25. Ulusal Biyofizik Kongresi, Trabzon, Turkey (2013)
  12. Stein, M.; Rauchfuss, T. B.: The electronic structure and spin density distribution in biomimetic mixed-valence complexes. 112th Bunsentagung: Theory meets Spectroscopy, Karlsruhe, Germany (2013)
  13. Stein, M.: Hydrogen conversion in enzymes and biomimetic systems. Bioenergetics in mitochondria, bacteria and chloroplasts, Schloss Rauischolzhausen, Germany (2013)
  14. Stein, M.: Proteine im Kontext: Interaktion, Katalyse und Kommunikation. Chemiedozententagung 2013, Berlin, Germany (2013)
  15. Stein, M.: The structural biology of the interactome and the kineticome. Ingerative Biodiversity Research, Leipzig, Germany (2013)
  16. Stein, M.: From Enzymes to Biomimetic Systems and Back. 10th International Hydrogenase Conference, Szeged, Hungary (2013)
  17. 2012
    Stein, M.: Remote cofactor control of active site properties in hydrogen converting enzymes. 2012 ISQBP President´s Meeting, Stockholm, Schweden (2012)
  18. 2011
    Kaemmerer, H.; Zinke, R.; Lorenz, H.; Stein, M.; Seidel-Morgenstern, A.: Application of predictive COSMO models for the design of chiral crystallisation processes - Chances and challenges. 8th European Congress of Chemical Engineering together with ProcessNet-Annual Meeting / 1st European Congress of Applied Biotechnology together with 29th DECHEMA's Biotechnology Annual Meeting, Berlin, Germany (2011)
  19. Stein, M.: Mixed-Valence Structural and Functional Mimics of Hydrogenases. Modeling of Molecular Properties, Heidelberg, Germany (2011)
  20. Stein, M.: Structural and Functional Mimics of Hydrogenase. 47th Symposium for Theoretical Chemistry STC 2011, Sursee, Switzerland (2011)
  21. Stein, M.: Computational re-design of hydrogenase enzymes. Ninth triennial congress of the World Association of Theoretical and Computational Chemists, Santiago de Compostela, Spain (2011)
  22. Stein, M.: Structural basis for enzyme kinetics. 2nd Max Planck LeadNet Meeting, Berlin, Germany (2011)
  23. 2010
    Stein, M.: Hydrogen Conversion- Going Back and Forth in Model Compounds. The 9th International Hydrogenase Conference, Uppsala, Sweden (2010)

Poster (27)

  1. 2015
    Edler, E.; Schulze, E.; Stein, M.: Structure and Dynamics of Membrane-Bound Rab5. Biophysics Joint Meeting: Structure, Dynamics and Interactions of Biomolecules, Hünfeld, Germany (2015)
  2. Edler, E.; Stein, M.: Simulation of membrane-bound Rab5: structure and dynamics at different lipid compositions. EBSA 2015 - 10th European Biophysics Congress, Dresden, Germany (2015)
  3. Jörke, A.; Kohls, E.; Triemer, S.; Seidel-Morgenstern, A.; Hamel, C.; Stein, M.: Resolution of complex reaction mixtures containing structural decene isomers in homogeneous catalysis. 48. Jahrestreffen Deutscher Katalytiker, Weimar, Germany (2015)
  4. Jörke, A.; Kohls, E.; Triemer, S.; Seidel-Morgenstern, A.; Stein, M.; Hamel, C.: Identification, thermodynamics and kinetic behavior of complex decene isomer mixtures used in homogeneous rhodium catalysis. ESCRE 2015 - European Symposium on Chemical Reaction Engineering, Fürstenfeldbruck, Germany (2015)
  5. Kohls, E.; Jörke, A.; Triemer, S.; Hamel, C.; Seidel-Morgenstern, A.; Stein, M.: Thermochemistry of long chain olefins in complex reaction media. 114th General Assembly of the German Bunsen Society for Physical Chemistry, Bochum, Germany (2015)
  6. Kohls, E.; Jörke, A.; Hamel, C.; Seidel-Morgenstern, A.; Stein, M.: Quantum mechanical characterization of hydroformylation of long chain olefins catalyzed by Rh-based catalyst. 17th International Symposium on Relations between Homogeneous and Heterogeneous Catalysis (ISHHC17), Utrecht, The Netherlands (2015)
  7. Kohls, E.; Jörke, A.; Hamel, C.; Seidel-Morgenstern, A.; Stein, M.: Computational approach to reaction mechanisms in rhodium-catalyzed hydroformylation of long chain olefins. STC 2015 - 51st Symposium on Theoretical Chemistry: Chemistry in Motion, Potsdam, Germany (2015)
  8. Petrenko, A.; Stein, M.: Computational modeling of [NiFe] hydrogenase - graphite surface electron transfer. EBSA 2015 - 10th European Biophysics Congress, Dresden, Germany (2015)
  9. Petrenko, A.; Stein, M.: Calculating protein-electrode binding and electron transfer rates in microbial fuel cells. Computational Molecular Science 2015, Coventry, United Kingdom (2015)
  10. Schulze, E.; Edler, E.; Stein, M.: Coarse-grained MD simulations of lipid bilayers and membrane anchoring. 2015 MARTINI Coarse-Graining Workshop, Groningen, The Netherlands (2015)
  11. 2014
    Buchholz, H. K.; Stein, M.; Lorenz, H.; Seidel-Morgenstern, A.: Prädiktive Bestimmung der Löslichkeit kristalliner Stoffe mit Hilfe der Gitterenergie. Jahrestreffen der ProcessNet-Fachgruppe Kristallisation 2014, Münster, Germany (2014)
  12. Buchholz, H. K.; Stein, M.; Lorenz, H.; Seidel-Morgenstern, A.: Evaluation of Two Thermodynamic Cycles for Solubility Determination. BIWIC 2014 - 21st International Workshop on Industrial Crystallization, Rouen, France (2014)
  13. Edler, E.; Stein, M.: Posttranslationally Modified Rab5 Membrane Binding. EMBO Practical Course Biomolecular Simulation, Paris, France (2014)
  14. Hylton, R.; Stein, M.; Price, S. L.: Crystal structure prediction methods as an aid to understanding chiral separation. CECAM Workshop: Molecular Simulations of Crystallization from Solution, Lugano, Switzerland (2014)
  15. Yazdi, S.; Andersson, M.; Elinder, F.; Stein, M.; Lindahl, E.: Molecular Characterization of the Binding of Polyunsaturated Fatty Acids to a Voltage-Gated Potassium Channel. 58th Annual Meeting of the Biophysical Society, San Francisco, USA (2014)
  16. 2013
    Buchholz, H. K.; Le Minh, T.; Stein, M.; Lorenz, H.; Seidel-Morgenstern, A.: Solubility determination and prediction of the lactide species. BIWIC 2013 - 20th International Workshop on Industrial Crystallization, Odense, Denmark (2013)
  17. Chambers , G. M.; Angamuthu, R.; Mitra , J.; Rauchfuss, T. B.; Stein, M.: Ni-Ru Dithiolates as Models for the Ni-L State in [NiFe]-Hydrogenase. XVIth International Conference on Biological Inorganic Chemistry, Grenoble, France (2013)
  18. Durdagi, S.; Randal, T.; Duff, H. J.; Noskov, S. Y.: Rehabilitation Studies for withdrawn drugs from the market: derivation of non-hERG1 channel blocker cisapride analogues using multi-faceted approaches. 57th Biophysical Society Meeting, Philadelphia, USA (2013)
  19. Yazdi, S.; Durdagi, S.; Stein, M.: The structural biology of IκBα and NF-κB signalling. Signal Transduction: Receptors, Mediators and Genes 2013 Meeting, Weimar, Germany (2013)
  20. Yazdi, S.; Durdagi, S.; Stein, M.: The interplay between phosphorylation of IκBα and its recognition by β-TrCP through MD simulation and protein-protein docking. TheoBio 2013 - 6th International Theoretical Biophysics Symposium, Gothenburg, Sweden (2013)
  21. Yazdi, S.; Stein, M.: Unraveling the structural effects of phosphorylation on the human IκBα/NF-κB complex. ISMB/ECCB 2013 - 21st Annual International Conference on Intelligent Systems for Molecular Biology, 12th European Conference on Computational Biology, Berlin, Germany (2013)
  22. 2012
    Stein, M.; Schilter, D.; Rauchfuss, T. B.: Mixed-Valence Nickel-Iron Dithiolate Models of the [NiFe]-Hydrogenase Active Site. Symposium for Theoretical Chemistry, Karlsruhe, Germany (2012)
  23. Yazdi, S.; Stein, M.: Computational Molecular Systems Biology. IAS Winter School - Hierarchical Methods for Dynamics in Complex Molecular Systems, Jülich, Germany (2012)
  24. 2011
    Fuller, J. C.; Stein, M.; Martinez, M.; Wade, R.: Brownian dynamics simulations of FYVE domain association to PtdIns(3)P containing membranes. Membrane Proteins : Structure and Function, Oxford, U.K. (2011)
  25. Stein, M.; Lomoth, R.; Ott, S.: A Mononuclear Iron(II) Complex as Minimal Functional [FeFe] Hydrogenase Active Site Model. International Symposium Advanced EPR Spectroscopy on Biomolecules, Muehlheim an der Ruhr, Germany (2011)
  26. 2010
    Stein, M.; Weidemann, A.; Richter, S.; Berynskyy, M.; Gauges, R.; Wade, R.; Kummer, U.: SYCAMORE - A web-based integrating systems biology´s workbench. German Conference on Bioinformatics 2010, Braunschweig, Germany (2010)
  27. Weidemann, A.; Stein, M.; Richter, S.; Gauges, R.; Sahle, S.; Wade, R.; Kummer, U.: SYCAMORE - a web-based modelling workbench. 11th International Conference on Systems Biology 2010, Edingburgh, U.K. (2010)
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