Konferenzbeitrag (2)
2016
Konferenzbeitrag
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
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
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
19 (1 Supplement), S. 519 - 519. XVIth International Conference on Biological Inorganic Chemistry, Grenoble, France, 22. Juli 2013 - 26. Juli 2013. Springer, Berlin (2014)
Ni-Ru Dithiolates as Models for the Ni-L State in [NiFe]-Hydrogenase. In Journal of Biological Inorganic Chemistry,
Meeting Abstract
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)
Molecular Characterization of the Binding of Polyunsaturated Fatty Acids to a Voltage-Gated Potassium Channel. In Biophysical Journal (Annual Meeting Abstracts), Vortrag (50)
2023
Vortrag
Solvent Design for Green Homogeneous multi-phase Industrial Reactions. European Conference on Computational and Theoretical Chemistry (CompChem 2023), Thessaloniki, Greece (2023)
Vortrag
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)
Vortrag
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)
Vortrag
Bio-inspired Catalysis and Therapeutics. 6th Quantum Bio-Inorganic Chemistry Conference, Warsaw, Poland (2023)
2022
Vortrag
Conformational Transitions in the Catalytic Cycle of Cezanne-1. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)
Vortrag
The multitude of roles of solvent in homogeneous catalysis. ACS Fall Meeting, Chicago, IL, USA (2022)
Vortrag
Screening, identification and targeting of active molecules. First annual meeting of ProteoCure, Ljubljana, Slovenia (2022)
Vortrag
Non-Covalent Interactions in Molecular Receptors and Crystals. Bunsen-Tagung 2022 - Understanding Dispersion Interactions in Molecular Chemistry, Giessen, Germany (2022)
Vortrag
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
QM calculated free energies of binding of macromolecular ligand-receptor complexes. ACS Spring Meeting 2021, virtual (2021)
2020
Vortrag
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
Electrostatics of molecular interactions. School on molecular computational biochemistry at , Krakow, Poland (2019)
Vortrag
The rate and routes of electron transfer in an enzymatic fuel cell. ICH2019 - 12th International Conference on Hydrogenases, Lisbon, Portugal (2019)
Vortrag
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
The rates and routes of electron transfer in an enzymatic fuel cell. International Conference on Catalysis and Surface Chemistry 2018, Kraków, Poland (2018)