Talk (46)

2018
Talk
Stein, M.: The rates and routes of electron transfer in an enzymatic fuel cell. International Conference on Catalysis and Surface Chemistry 2018, Kraków, Poland (2018)
Talk
Stein, M.: Enzymatic Spin States. ECOSTBio Action Workshop, Erkner, Germany (2018)
2017
Talk
Kweyu, C. M.; Feng, L.; Stein, M.; Benner, P.: Reduced basis method for Poisson-Boltzmann equation. 3rd Workshop on Model Reduction of Complex Dynamical Systems (MODRED 2017), Odense, Denmark (2017)
Talk
Schulze, E.; Stein, M.: Conformational dynamics of glycoproteins. 31st Molecular Modeling Workshop 2017, Erlangen, Germany (2017)
Talk
Schulze, E.; Stein, M.: Molecular Dynamics and Markov State Modelling of OL93 N-Glycosylated Proteins. 19th EUROCARB: European Carbohydrate Symposium, Barcelona, Spain (2017)
Talk
Stein, M.: Hydrogen conversion in [NiFe]-enzymes and bio-inspired complexes. WATOC 2017 - 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Munich, Germany (2017)
Talk
Stein, M.: Fine tuning of properties of metallic cofactors. QM/MM Methods and Applications, Manchester, UK (2017)
2016
Talk
Kweyu, C. M.; Hess, M. W.; Feng, L.; Stein, M.; Benner, P.: Reduced Basis Method for Poisson-Boltzmann Equation. VII European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece (2016)
Talk
Kweyu, C. M.; Hess, M. W.; Feng, L.; Stein, M.; Benner, P.: Reduced Basis Method for Poisson-Boltzmann Equation. Reduced Basis Summer School 2016, Hedersleben, Germany (2016)
Talk
Sadowski, G.; Lemberg, M.; Gerlach, M.; Kohls, E.; Hamel, C.; Stein, M.; Seidel-Morgenstern, A.: High-Pressure Hydroformylation Reaction Equilibria. 2016 AIChE Annual Meeting, San Francisco, USA (2016)
Talk
Stein, M.; Kaur-Ghumaan, S.: Sustainable hydrogen production / Bioinspired versus biomimetic hydrogen converting systems: synthesis and characterization by experiment and theory. 3rd Indo-German Workshop on Advances in Materials, Reaction and Separation Processes, Madras, India (2016)
2015
Talk
Buchholz, H. K.; Stein, M.; Lorenz, H.; Seidel-Morgenstern, A.: Vorausberechnung von absoluten und relativen Löslichkeiten chiraler Substanzen. Jahrestreffen der Fachgruppen Kristallisation, Partikelmesstechnik, Zerkleinern & Klassieren, mit Fachgemeinschaftstag Formulierung, Magdeburg, Germany (2015)
Talk
Edler, E.; Yazdi, S.; Stein, M.: The Molecular Systems Biology Of Signaling And Metabolic Networks. 3rd INTERNATIONAL BAU-DRUG DESIGN CONGRESS: Novel Methods and Emerging Targets in Drug Discovery & Patented Drug Development, Istanbul, Turkey (2015)
Talk
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)
Talk
Stein, M.: Hydrogen Conversion by Earth-­‐Abundant Catalysts. ECOSTBIO: Third scientific workshop, Belgrade, Serbia (2015)
Talk
Stein, M.: Biological and Bio-inspired Hydrogen Converting Catalysts. Einstein Workshop on Sustainable Chemical Transformations with Homogeneous Catalysts, Berlin, Germany (2015)
2014
Talk
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)
Talk
Stein, M.: Microbial hydrogen conversion in the presence of oxygen. Umeå Renewable Energy Meeting 2014, Umeå, Sweden (2014)
Talk
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)
Talk
Stein, M.: Enzymatic Spin States. ECOSTBio Scientific Workshop, Girona, Italy (2014)
2013
Talk
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)
Talk
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)
Talk
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)
Talk
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)
Talk
Stein, M.: Hydrogen conversion in enzymes and biomimetic systems. Bioenergetics in mitochondria, bacteria and chloroplasts, Schloss Rauischolzhausen, Germany (2013)
Talk
Stein, M.: Proteine im Kontext: Interaktion, Katalyse und Kommunikation. Chemiedozententagung 2013, Berlin, Germany (2013)
Talk
Stein, M.: The structural biology of the interactome and the kineticome. Ingerative Biodiversity Research, Leipzig, Germany (2013)
Talk
Stein, M.: From Enzymes to Biomimetic Systems and Back. 10th International Hydrogenase Conference, Szeged, Hungary (2013)
Talk
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)
2012
Talk
Stein, M.: Remote cofactor control of active site properties in hydrogen converting enzymes. 2012 ISQBP President´s Meeting, Stockholm, Schweden (2012)
2011
Talk
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)
Talk
Stein, M.: Mixed-Valence Structural and Functional Mimics of Hydrogenases. Modeling of Molecular Properties, Heidelberg, Germany (2011)
Talk
Stein, M.: Structural and Functional Mimics of Hydrogenase. 47th Symposium for Theoretical Chemistry STC 2011, Sursee, Switzerland (2011)
Talk
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)
Talk
Stein, M.: Structural basis for enzyme kinetics. 2nd Max Planck LeadNet Meeting, Berlin, Germany (2011)
2010
Talk
Stein, M.: Hydrogen Conversion- Going Back and Forth in Model Compounds. The 9th International Hydrogenase Conference, Uppsala, Sweden (2010)

Poster (64)

2022
Poster
Boz, E.; Stein, M.: Non-Covalent Interactions in Molecular Receptors and Crystals. CRC Computational Chemistry Gordon Research Conference “Multiscale Modeling of Complex Systems: Methods and Applications", Castelldefels, Spain (2022)
Poster
Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Conformational Transitions in the Catalytic Cycle of Cezanne‐1. Hybrid Workshop "Computer Simulation and Therory of Macromolecules", Hünfeld, Germany (2022)
Poster
Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Conformational Transitions in the Catalytic Cycle of Cezanne-1. Konferenz XI. ZOMES, Magdeburg, Germany (2022)
Poster
Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Conformational Transitions in the Catalytic Cycle of Cezanne-1. EMBO Workshop - Ubiquitin and ubiquitin-like proteins in health and diseases, Cavtat, Croatia (2022)
Poster
Jameel, F.; Stein, M.: Solvent Selection for Sustainable Homogeneously Catalyzed Reactions. 58th Symposium on Theoretical Chemistry, Heidelberg, Germany (2022)
Poster
Joshi, M.; Stein, M.: ffect of Different Bridging Dithiolate Ligands on Hydrogen Evolution Mechanism: A Computational Study. 58th Symposium on Theoretical Chemistry, Heidelberg, Germany (2022)
Poster
Kumar, R.; Sundararajan, M.; Rajaraman, G.: Effect of Axial and Equatorial Ligands in Controlling the Reactivity of Iron(IV)‐Oxo Species: Single‐State vs. Two‐State Reactivity. 58th Symposium on Theoretical Chemistry, Heidelberg, Germany (2022)
2021
Poster
Boz, E.; Stein, M.: Accurate receptor-ligand binding free energies from fast QM conformational chemical space sampling. CECAM Flagship Workshop: Non-Covalent Interactions in Large Molecules and Extended Materials, Lausanne, Switzerland (hybrid event) (2021)
Poster
Boz, E.; Stein, M.: Accurate Receptor-Ligand Binding Free Energies from QM Conformational Chemical Space Sampling. 57th Symposium on Theoretical Chemistry, virtually (2021)
Poster
Jameel, F.; Stein, M.: Mechanism and control of industrial multistage chemical reactions from renewable resources. Reaction mechanisms in catalysis: Faraday Discussion, virtual (2021)
Poster
Stein, M.; Boz, E.: Accurate receptor-ligand binding free energies from QM conformational chemical space sampling. The 2021 ISQBP Presidents´s Meeting, virtual (2021)
Poster
Stein, M.; Boz, E.: Accurate receptor-ligand binding free energies from fast QM conformational chemical space sampling. 723. WE-Heraeus-Seminar - Advanced Physical and Computational Techniques to Investigate Protein Dynamics , virtual (2021)
2020
Poster
Jameel, F.; Boz, E.; Stein, M.: Mechanisms and control of industial multistage chemical reactions from renewable resource. 2020 Virtual AIChE Annual Meeting, virtually (accepted)
2019
Poster
Melnikov, S.; Stein, M.: Thermodynamic and kinetic properties of novel alkanolamines for CO2 sequestration from molecular dynamics simulations. 55th Symposium Theoretical Chemistry, Rostock, Germany (2019)
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