Poster (57)

2015
Poster
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)
Poster
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)
Poster
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)
Poster
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)
Poster
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)
Poster
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)
Poster
Petrenko, A.; Stein, M.: Computational modeling of [NiFe] hydrogenase - graphite surface electron transfer. EBSA 2015 - 10th European Biophysics Congress, Dresden, Germany (2015)
Poster
Petrenko, A.; Stein, M.: Calculating protein-electrode binding and electron transfer rates in microbial fuel cells. Computational Molecular Science 2015, Coventry, United Kingdom (2015)
Poster
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)
2014
Poster
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)
Poster
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)
Poster
Edler, E.; Stein, M.: Posttranslationally Modified Rab5 Membrane Binding. EMBO Practical Course Biomolecular Simulation, Paris, France (2014)
Poster
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)
Poster
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)
2013
Poster
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)
Poster
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)
Poster
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)
Poster
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)
Poster
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)
Poster
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)
2012
Poster
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)
Poster
Yazdi, S.; Stein, M.: Computational Molecular Systems Biology. IAS Winter School - Hierarchical Methods for Dynamics in Complex Molecular Systems, Jülich, Germany (2012)
2011
Poster
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)
Poster
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)
2010
Poster
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)
Poster
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)
2009
Poster
Thomas, S.; Schotte, F.; Hermann, A.; He, L.; Sundmacher, K.; Rihko-Struckmann, L.; Heidebrecht, P.; Kumar, V.; Datta, P.; Hertel, C. et al.; Oettel, C.; Hartono, B.; Kusnezoff, M.; Kayurucu-Schubert, S.: ProBio: Integrated Process System for the Transformation of Biomass into Electrical Energy by use of Fuel Cells. 17th European Biomass Conference & Exhibition – From Research to Industry and Makets, Hamburg, Germany (2009)

Thesis - PhD (2)

2019
Thesis - PhD
Münzberg, E.: Of proteins and lipids: A molecular dynamics study of membrane-bound Rab5. Dissertation, Otto-von-Guericke-Universität, Magdeburg (2019)
2016
Thesis - PhD
Yazdi, S.: The Structural Dynamics of Soluble and Membrane Proteins Explored through Molecular Simulations. Dissertation, Otto-von-Guericke-Universität, Magdeburg (2016)

Thesis - Master (8)

2019
Thesis - Master
Heimsaat, M.: Packing and Intermolecular Interactions in Small Organic Molecular Crystals and Natural Compounds. Master, Otto-von-Guericke-Universität, Magdeburg (2019)
2018
Thesis - Master
Reinicke, J.: Computational Studies of Protein-Protein Complex Formation. Master, Otto-von-Guericke-Universität, Magdeburg (2018)
2017
Thesis - Master
Jameel, F.: Hydroesterification of long chain olefins using renewable sources. Master, Otto-von-Guericke Universität, Magdeburg (2017)
2016
Thesis - Master
Elbassyouni, K. A. M.I.: Mechanistic and kinetic investigation of hydroformylation of long chain olefins using quantum chemical methods. Master, Otto-von-Guericke-Universität, Magdeburg (2016)
Thesis - Master
Naqvi, A. A.: DFT Study of Rhodium Catalyzed Hydroformylation of 1-dodecene. Master, Otto-von-Guericke-Universität, Magdeburg (2016)
Thesis - Master
Shah, D.: Three Dimensional Analysis of the Kinetic parameters of Mandelate racemases. Master, Otto-von-Guericke-Universität, Magdeburg (2016)
2015
Thesis - Master
Schulze, E.: Modeling Biomembranes and Protein-Membrane Interactions by Molecular Dynamics. Master, Otto-von-Guericke-Universität, Magdeburg (2015)
2013
Thesis - Master
Edler, E.: Quantum chemical investigation of the hydrogen evolution reaction of a mononuclear iron(III) dithiolene complex as a biomimetic model for a hydrogenase. Master, Otto-von-Guericke-Universität, Magdeburg (2013)

Working Paper (2)

2021
Working Paper
Kweyu, C. M.; Feng, L.; Stein, M.; Benner, P.: Reduced Basis Method for the Nonlinear Poisson-Boltzmann Equation regularized by the Range-Separated Canonical Tensor Format. (2021)
Working Paper
Kweyu, C. M.; Khoromskaia, V.; Khoromskij, B.; Stein, M.; Benner, P.: Solution Decomposition for the Nonlinear Poisson-Boltzmann Equation using the Range-Separated Tensor Format. (2021)

Other (1)

2017
Other
Yazdi, S.; Naumann, M.; Stein, M.: Cover Image, Proteins: Structure, Function, and Bioinformatics 85, p. C4 - C4 (2017)
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