Publikationen von Matthias Stein

Buchkapitel (2)

2016
Buchkapitel
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, S. 327 - 368 (Hg. Swart, M.; Costas, M.). Wiley-VCH, Chichester, West Sussex (2016)

Konferenzbeitrag (2)

2016
Konferenzbeitrag
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, S. 4187 - 4195 (Hg. Papadrakakis, M.; Papadopoulos, V.; Stefanou, G.; Plevris, V.). VII European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece, 05. Juni 2016 - 10. Juni 2016. National Technical University of Athens (NTUA), Athens, Greece (2016)
2014
Konferenzbeitrag
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, S. 166 - 170. BIWIC 2014 - 21st International Workshop on Industrial Crystallization, Rouen, France, 10. September 2014 - 12. September 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, S. 41 - 41. 3rd INTERNATIONAL BAU-DRUG DESIGN CONGRESS: Novel Methods and Emerging Targets in Drug Discovery & Patented Drug Development, Istanbul, Turkey, 01. Oktober 2015 - 03. Oktober 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), S. 519 - 519. XVIth International Conference on Biological Inorganic Chemistry, Grenoble, France, 22. Juli 2013 - 26. Juli 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), S. 739A - 739A. 58th Annual Meeting of the Biophysical Society, San Francisco, USA, 15. Februar 2014 - 19. Februar 2014. Biophysical Society, Bethesda, MD (2014)

Vortrag (46)

2022
Vortrag
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)
Vortrag
Jameel, F.; Stein, M.: The multitude of roles of solvent in homogeneous catalysis. ACS Fall Meeting, Chicago, IL, USA (2022)
Vortrag
Stein, M.: Screening, identification and targeting of active molecules. First annual meeting of ProteoCure, Ljubljana, Slovenia (2022)
Vortrag
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)
Vortrag
Stein, M.; Boz, E.; Yalcin-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
Vortrag
Stein, M.; Boz, E.: QM calculated free energies of binding of macromolecular ligand-receptor complexes. ACS Spring Meeting 2021, virtual (2021)
2020
Vortrag
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
Vortrag
Kweyu, C. M.; Feng, L.; Stein, M.; Benner, P.: Fast solution of the Poisson-Boltzmann equation by the reduced basis method and range-separated canonical tensor format. YCOPE 2019 - 1st International Young Professionals Conference on Process Engineering, Magdeburg, Germany (2019)
Vortrag
Stein, M.: Electrostatics of molecular interactions. School on molecular computational biochemistry at , Krakow, Poland (2019)
Vortrag
Stein, M.: The rate and routes of electron transfer in an enzymatic fuel cell. ICH2019 - 12th International Conference on Hydrogenases, Lisbon, Portugal (2019)
Vortrag
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 (angenommen)
2018
Vortrag
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)
Vortrag
Stein, M.: Enzymatic Spin States. ECOSTBio Action Workshop, Erkner, Germany (2018)
2017
Vortrag
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)
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