Conference Paper (2)

2016
Conference Paper
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)
2014
Conference Paper
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)

Meeting Abstract (3)

2015
Meeting Abstract
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)
2014
Meeting Abstract
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)
Meeting Abstract
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)

Talk (50)

2023
Talk
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)
Talk
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)
Talk
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)
Talk
Stein, M.: Bio-inspired Catalysis and Therapeutics. 6th Quantum Bio-Inorganic Chemistry Conference, Warsaw, Poland (2023)
2022
Talk
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)
Talk
Jameel, F.; Stein, M.: The multitude of roles of solvent in homogeneous catalysis. ACS Fall Meeting, Chicago, IL, USA (2022)
Talk
Stein, M.: Screening, identification and targeting of active molecules. First annual meeting of ProteoCure, Ljubljana, Slovenia (2022)
Talk
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)
Talk
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)
2021
Talk
Stein, M.; Boz, E.: QM calculated free energies of binding of macromolecular ligand-receptor complexes. ACS Spring Meeting 2021, virtual (2021)
2020
Talk
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)
2019
Talk
Stein, M.: Electrostatics of molecular interactions. School on molecular computational biochemistry at , Krakow, Poland (2019)
Talk
Stein, M.: The rate and routes of electron transfer in an enzymatic fuel cell. ICH2019 - 12th International Conference on Hydrogenases, Lisbon, Portugal (2019)
Talk
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)
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)
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