Stein, M.: Hydrogen Conversion by Earth-­‐Abundant Catalysts. ECOSTBIO: Third scientific workshop, Belgrade, Serbia (2015)

Stein, M.: Biological and Bio-inspired Hydrogen Converting Catalysts. Einstein Workshop on Sustainable Chemical Transformations with Homogeneous Catalysts, Berlin, Germany (2015)

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)

Stein, M.: Microbial hydrogen conversion in the presence of oxygen. Umeå Renewable Energy Meeting 2014, Umeå, Sweden (2014)

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)

Stein, M.: Enzymatic Spin States. ECOSTBio Scientific Workshop, Girona, Italy (2014)

Durdagi, S.; Randal, T.; Duff, H. J.; Noskov, S. Y.: Rehabilitation Studies for Withdrawn Drugs from the Market Using Multi-Scale Modeling Approaches. Rehabilitation Studies for Withdrawn Drugs from the Market Using Multi-Scale Modeling Approaches, Istanbul, Turkey (2013)

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)

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)

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)

Stein, M.: Hydrogen conversion in enzymes and biomimetic systems. Bioenergetics in mitochondria, bacteria and chloroplasts, Schloss Rauischolzhausen, Germany (2013)

Stein, M.: Proteine im Kontext: Interaktion, Katalyse und Kommunikation. Chemiedozententagung 2013, Berlin, Germany (2013)

Stein, M.: The structural biology of the interactome and the kineticome. Ingerative Biodiversity Research, Leipzig, Germany (2013)

Stein, M.: From Enzymes to Biomimetic Systems and Back. 10th International Hydrogenase Conference, Szeged, Hungary (2013)

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)

Stein, M.: Remote cofactor control of active site properties in hydrogen converting enzymes. 2012 ISQBP President´s Meeting, Stockholm, Schweden (2012)

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)

Stein, M.: Mixed-Valence Structural and Functional Mimics of Hydrogenases. Modeling of Molecular Properties, Heidelberg, Germany (2011)

Stein, M.: Structural and Functional Mimics of Hydrogenase. 47th Symposium for Theoretical Chemistry STC 2011, Sursee, Switzerland (2011)

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)

Stein, M.: Structural basis for enzyme kinetics. 2nd Max Planck LeadNet Meeting, Berlin, Germany (2011)

Stein, M.: Hydrogen Conversion- Going Back and Forth in Model Compounds. The 9th International Hydrogenase Conference, Uppsala, Sweden (2010)

Elmaci, D. N.; Hopping, G.; Muttenthaller, M.; Stein, M.: The Role of Disulfide Bonds in Structural Stability and Dynamics of Human TFF1. 60th Symposium on Theoretical Chemistry, Brunswig, Germany (2024)

Elmaci, D. N.; Stein, M.: The Role of Disulfide Bonds in Structural Stability and Dynamics of Human TFF1. 36th Molecular Modelling Workshop, Erlangen, Germany (2024)

Gomes Cabral, T. L.; Tormena, C. F.; Stein, M.: Chiral Interactions at the Molecular Level: Insights from NMR and Computational Studies. 36th Molecular Modelling Workshop, Erlangen, Germany (2024)

Gomes Cabral, T. L.; Tormena, C. F.; Stein, M.: Chiral Recognition from NMR and Computational Studies. Bunsen-Tagung 2024, Aachen, Germany (2024)

Gomes Cabral, T. L.; Tormena, C. F.; Stein, M.: An experimental and computational investigation of chiral recognition in solution. CTTC IX - Current Trends in Theoretical Chemistry, Krakow, Poland (2024)

Ilter, M.; Escorcia Cabrera, A. M.; Stein, M.: Exploration of the Chemical Reaction Space of Cezanne-2 through MD and QM/MM. CCSC 2024 – Chemical Compound Space Conference, Heidelberg, Germany (2024)

Ilter, M.; Escorcia Cabrera, A. M.; Stein, M.: Unveiling the Catalytic Mechanism of Cezanne-2: Insights from MD and QM/MM Simulations. 60th Symposium on Theoretical Chemistry, Brunswig, Germany (2024)

Ilter, M.; Schulze-Niemand, E.; Stein, M.: Exploring the Multi-Stage Catalytic Cycle of Cezanne-1 through MD Simulations. 36th Molecular Modelling Workshop, Erlangen, Germany (2024)

Kumar, R.; Stein, M.: Investigations on the Spin States of the Fully Oxidized Glutamate-Coordinated O2-Tolerant [NiFe]-Hydrogenase. 60th Symposium on Theoretical Chemistry, Brunswig, Germany (2024)

Elmaci, D. N.; Stein, M.: The Role of Disulfide Bonds on Structural Integrity of Human TFF1 Domain. CSC Spring School in Computational Chemistry 2023, Espoo, Finland (2023)

Gavutis, M.; Schulze-Niemand, E.; Lee, H.-H.; Paracini, N.; Lakey, J.; Liedberg, B.; Clifton, L.; Stein, M.; Valiokas, R.: Sparse tethering of bilayer lipid membrane for analytical biomimetic assays. Cell Physics 2023, Saarbrücken, Germany (2023)

Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Structural dynamics of K11-linked selective deubiquitylase Cezanne-1. Deubiquitylases and Ubl-proteases, Edinburgh, UK (2023)

Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Structural Dynamics of the K11-linked Selective Deubiquitinase Cezanne-1. CSC Spring School in Computational Chemistry 2023, Espoo, Finland (2023)

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)

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)

Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Conformational Transitions in the Catalytic Cycle of Cezanne-1. Konferenz XI. ZOMES, Magdeburg, Germany (2022)

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)

Jameel, F.; Stein, M.: Solvent Selection for Sustainable Homogeneously Catalyzed Reactions. 58th Symposium on Theoretical Chemistry, Heidelberg, Germany (2022)

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)

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)

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)

Boz, E.; Stein, M.: Accurate Receptor-Ligand Binding Free Energies from QM Conformational Chemical Space Sampling. 57th Symposium on Theoretical Chemistry, virtually (2021)

Jameel, F.; Stein, M.: Mechanism and control of industrial multistage chemical reactions from renewable resources. Reaction mechanisms in catalysis: Faraday Discussion, virtual (2021)

Stein, M.; Boz, E.: Accurate receptor-ligand binding free energies from QM conformational chemical space sampling. The 2021 ISQBP Presidents´s Meeting, virtual (2021)

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)

Jameel, F.; Boz, E.; Stein, M.: Mechanisms and control of industial multistage chemical reactions from renewable resource. 2020 Virtual AIChE Annual Meeting, virtually (accepted)

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)

Schulze, E.; Stein, M.: Ensemble-based docking and uncertainties from MD refinement of weak binders: The case of bile acids and the Norovirus receptor domain. EUROPIN Summer School of Drug Design - Vienna, Vienna, Austria (2019)