Erdem, Ö.F.; Schwartz, L.; Stein, M.; Kaur-Ghumaan, S.; Huang, P.; Reijerse, E.J.; Lubitz, W.; Silakov, A.: Ein Modell des aktiven Zentrums der [FeFe]-Hydrogenasen mit biologisch relevanter Azadithiolat-Brücke: eine spektroskopische und theoretische Untersuchung. Angewandte Chemie 123 (6), pp. 1475 - 1479 (2011)

Erdem, Ö.F.; Schwartz, L.; Stein, M.; Silakov, A.; Kaur-Ghumaan, S.; Huang, P.; Ott, S.; Reijerse, E.J.; Lubitz, W.: A Model of the [FeFe] Hydrogenase Active Site with a Biologically Relevant Azadithiolate Bridge: a Spectroscopic and Theoretical Investigation. Angewandte Chemie International Edition in English 50 (6), pp. 1439 - 1443 (2011)

Fritsch, J.; Löscher, S.; Sanganas, O.; Siebert, E.; Zebger, I.; Stein, M.; Ludwig, M.; De Lacey, A. L.; Dau, H.; Friedrich, B. et al.; Lenz, O.; Haumann, M.: [NiFe] and [FeS] Cofactors in the Membrane-Bound Hydrogenase of Ralstonia eutropha Investigated by X-ray Absorption Spectroscopy: Insights into O₂-Tolerant H₂ Cleavage. Biochemistry 50 (26), pp. 5858 - 5869 (2011)

Goris, T.; Wait, A. F.; Saggu, M.; Fritsch, J.; Heidary, N.; Stein, M.; Zebger, I.; Lendzian, F.; Armstrong, F.A.; Friedrich, B. et al.; Lenz, O.: A unique iron-sulfur cluster is crucial for oxygen tolerance of a [NiFe]-hydrogenase. Nature Chemical Biology 7 (5), pp. 310 - 318 (2011)

Kaemmerer, H.; Zinke, R.; Lorenz, H.; Jones, M. J.; Seidel-Morgenstern, A.; Stein, M.: Corrigendum to “Selective crystallisation of a chiral compound-forming system—Solvent screening, SLE determination and process design” by Henning Kaemmerer et al. [Fluid Phase Equilibr. 296 (2010) 192–205]. Fluid Phase Equilibria 307 (1), pp. 110 - 112 (2011)

Stein, M.: Comment on "A Nickel(II)-Based Radical-Ligand Complex as a Functional Model of Hydrogenase". Chemistry - A European Journal 17 (52), pp. 15046 - 15048 (2011)

Gerlach, M.; Kirschtowski, S.; Jameel, F.; Huxoll, F.; Stein, M.; Sadowski, G.; Seidel-Morgenstern, A.; Hamel, C.: Kinetic Modeling of Complex Catalytic Reactions in Multiphase Systems. In: Integrated Chemical Processes in Liquid Multiphase Systems, pp. 101 - 149 (Eds. Kraume, M.; Enders, S.). Walter de Gruyter GmbH, Berlin/Boston (2022)

Jameel, F.; Huxoll, F.; Stein, M.; Sadowski, G.: Solvent Selection for Reactions in Liquid Phases. In: Integrated Chemical Processes in Liquid Multiphase Systems, pp. 523 - 535 (Eds. Kraume, M.; Enders, S.; Drews, A.; Schomäcker, R.; Engell, S. et al.). Walter de Gruyter GmbH, Berlin/Boston (2022)

Stein, M.: Anisotropic Magnetic Spin Interactions of Transition Metal Complexes and Metalloenzymes from Spectroscopy and Quantum Chemistry. In: Transition Metals in Coordination Environments, pp. 35 - 64 (Eds. Broclawik, E.; Borowski , T.; Radoń , M.). Springer Nature Switzerland, Switzerland (2019)

Petrenko, A.; Stein, M.: Environment Effects on Spin States, Properties and Dynamics from Multi-Level QM/MM Studies. In: Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity, pp. 327 - 368 (Eds. Swart, M.; Costas, M.). Wiley-VCH, Chichester, West Sussex (2016)

Kweyu, C. M.; Hess, M. W.; Feng, L.; Stein, M.; Benner, P.: Reduced Basis Method for Poisson-Boltzmann Equation. In: Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering: Volume II, pp. 4187 - 4195 (Eds. Papadrakakis, M.; Papadopoulos, V.; Stefanou, G.; Plevris, V.). VII European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece, June 05, 2016 - June 10, 2016. National Technical University of Athens (NTUA), Athens, Greece (2016)

Buchholz, H. K.; Stein, M.; Lorenz, H.; Seidel-Morgenstern, A.: Evaluation of Two Thermodynamic Cycles for Solubility Determination. In: BIWIC 2014 - 21st International Workshop on Industrial Crystallization, pp. 166 - 170. BIWIC 2014 - 21st International Workshop on Industrial Crystallization, Rouen, France, September 10, 2014 - September 12, 2014. (2014)

Edler, E.; Yazdi, S.; Stein, M.: The Molecular Systems Biology Of Signaling And Metabolic Networks. In 3rd INTERNATIONAL BAU-DRUG DESIGN CONGRESS: Novel Methods and Emerging Targets in Drug Discovery & Patented Drug Development, p. 41 - 41. 3rd INTERNATIONAL BAU-DRUG DESIGN CONGRESS: Novel Methods and Emerging Targets in Drug Discovery & Patented Drug Development, Istanbul, Turkey, October 01, 2015 - October 03, 2015. (2015)

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. In Journal of Biological Inorganic Chemistry, 19 (1 Supplement), p. 519 - 519. XVIth International Conference on Biological Inorganic Chemistry, Grenoble, France, July 22, 2013 - July 26, 2013. Springer, Berlin (2014)

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. In Biophysical Journal (Annual Meeting Abstracts), 106 (2), p. 739A - 739A. 58th Annual Meeting of the Biophysical Society, San Francisco, USA, February 15, 2014 - February 19, 2014. Biophysical Society, Bethesda, MD (2014)

Ilter, M.; Stein, M.: Complex Activation and Catalytic Cycles of Deubiquitinylase Enzymes. 94th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM), Magdeburg, Germany (2024)

Kumar, R.; Stein, M.: Unveiling the Oxidized State of Glutamate Coordinated O2-Tolerant [NiFe]-Hydrogenase. SABIC-2024 - 6th Symposium on Advanced Biological Inorganic Chemistry , Kolkata, India (2024)

Özkiliç, Y.; Stein, M.: Umbrella sampling identification of the elusive 'out' conformational state of kynurenine 3-monooxygenase. 36th Molecular Modelling Workshop, Erlangen, Germany (2024)

Stein, M.; Jameel, F.: The many roles and choice of solvents in homogeneous sustainable catalysis. 9th EuChemS – Chemistry Congress, Dublin, Ireland (2024)

Jameel, F.; Stein, M.: Solvent Design for Green Homogeneous multi-phase Industrial Reactions. European Conference on Computational and Theoretical Chemistry (CompChem 2023), Thessaloniki, Greece (2023)

Joshi, M.; Stein, M.: Electrocatalytic Hydrogen Production Using Transition Metal−based Molecular Catalysts. Bunsen-Tagung 2023 - Physical Chemistry of the Energy Transition / 122nd Annual Conference of the German Bunsen Society for Physical Chemistry, Berlin, Germany (2023)

Kumar, R.; Stein, M.: Oxidizing Ni or Fe in the Glutamate Coordinated O2-Tolerant (NiFe)-Hydrogenase: Broken-Symmetry DFT Exploration. 6th Quantum Bio-Inorganic Chemistry Conference, Warsaw, Poland (2023)

Stein, M.: Bio-inspired Catalysis and Therapeutics. 6th Quantum Bio-Inorganic Chemistry Conference, Warsaw, Poland (2023)

Stein, M.: Non-Covalent Interactions in Organic and Organometallic Crystals. Dalton 2023, Coventry, United Kingdom (2023)

Stein, M.; Díaz Mirón, J. E. Z.: Non-covalent Interactions in Organometallic Crystals. Intermolecular Interactions and Properties of Gases, Liquids and Solids, Graz, Austria (2023)

Stein, M.; Schulze-Niemand, E.; Ilter, M.; Naumann, M.: Control and regulation of NF-κB signaling by deubiquitinylases. EU COST Action ProteoCure Annual Meeting, Zagreb, Croatia (2023)

Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Conformational Transitions in the Catalytic Cycle of Cezanne-1. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)

Jameel, F.; Stein, M.: The multitude of roles of solvent in homogeneous catalysis. ACS Fall Meeting, Chicago, IL, USA (2022)

Stein, M.: Screening, identification and targeting of active molecules. First annual meeting of ProteoCure, Ljubljana, Slovenia (2022)

Stein, M.; Boz, E.; Heimsaat, M.: Non-Covalent Interactions in Molecular Receptors and Crystals. Bunsen-Tagung 2022 - Understanding Dispersion Interactions in Molecular Chemistry, Giessen, Germany (2022)

Stein, M.; Boz, E.; Yalçin-Özkat, G.: Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)

Stein, M.; Boz, E.: QM calculated free energies of binding of macromolecular ligand-receptor complexes. ACS Spring Meeting 2021, virtual (2021)

Stein, M.; Melnikov, S.: The Liquid Structure and Dynamics of CO2 Sequestration in Aqueous Alkanolamine Solutions. 4th Indo-German workshop on “Advances in Materials, Reactions & Separation Processes”, Berlin, Germany (2020)

Stein, M.: Electrostatics of molecular interactions. School on molecular computational biochemistry at , Krakow, Poland (2019)

Stein, M.: The rate and routes of electron transfer in an enzymatic fuel cell. ICH2019 - 12th International Conference on Hydrogenases, Lisbon, Portugal (2019)

Stein, M.; Melnikov, S.: The Liquid Structure and Dynamics of CO2 Sequestration in Aqueous Alkanolamine Solutions. Bunsentagung 2019 - 118th Genaral Assembly of the German Bunsen Society for Physical Chemistry, Jena, Germany (accepted)

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)

Stein, M.: Enzymatic Spin States. ECOSTBio Action Workshop, Erkner, Germany (2018)

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)

Schulze, E.; Stein, M.: Conformational dynamics of glycoproteins. 31st Molecular Modeling Workshop 2017, Erlangen, Germany (2017)

Schulze, E.; Stein, M.: Molecular Dynamics and Markov State Modelling of OL93 N-Glycosylated Proteins. 19th EUROCARB: European Carbohydrate Symposium, Barcelona, Spain (2017)

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)

Stein, M.: Fine tuning of properties of metallic cofactors. QM/MM Methods and Applications, Manchester, UK (2017)

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)

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)

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)

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)

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)

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)

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)