Talk (46)
2022
Talk
The multitude of roles of solvent in homogeneous catalysis. ACS Fall Meeting, Chicago, IL, USA (2022)
Talk
Screening, identification and targeting of active molecules. First annual meeting of ProteoCure, Ljubljana, Slovenia (2022)
Talk
Non-Covalent Interactions in Molecular Receptors and Crystals. Bunsen-Tagung 2022 - Understanding Dispersion Interactions in Molecular Chemistry, Giessen, Germany (2022)
Talk
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
QM calculated free energies of binding of macromolecular ligand-receptor complexes. ACS Spring Meeting 2021, virtual (2021)
2020
Talk
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
Electrostatics of molecular interactions. School on molecular computational biochemistry at , Krakow, Poland (2019)
Talk
The rate and routes of electron transfer in an enzymatic fuel cell. ICH2019 - 12th International Conference on Hydrogenases, Lisbon, Portugal (2019)
Talk
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
The rates and routes of electron transfer in an enzymatic fuel cell. International Conference on Catalysis and Surface Chemistry 2018, Kraków, Poland (2018)
Talk
Enzymatic Spin States. ECOSTBio Action Workshop, Erkner, Germany (2018)
2017
Talk
Reduced basis method for Poisson-Boltzmann equation. 3rd Workshop on Model Reduction of Complex Dynamical Systems (MODRED 2017), Odense, Denmark (2017)
Talk
Conformational dynamics of glycoproteins. 31st Molecular Modeling Workshop 2017, Erlangen, Germany (2017)
Talk
Molecular Dynamics and Markov State Modelling of OL93 N-Glycosylated Proteins. 19th EUROCARB: European Carbohydrate Symposium, Barcelona, Spain (2017)
Talk
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
Fine tuning of properties of metallic cofactors. QM/MM Methods and Applications, Manchester, UK (2017)
2016
Talk
Reduced Basis Method for Poisson-Boltzmann Equation. VII European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece (2016)
Talk
Reduced Basis Method for Poisson-Boltzmann Equation. Reduced Basis Summer School 2016, Hedersleben, Germany (2016)
Talk
High-Pressure Hydroformylation Reaction Equilibria. 2016 AIChE Annual Meeting, San Francisco, USA (2016)
Talk
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
Vorausberechnung von absoluten und relativen Löslichkeiten chiraler Substanzen. Jahrestreffen der Fachgruppen Kristallisation, Partikelmesstechnik, Zerkleinern & Klassieren, mit Fachgemeinschaftstag Formulierung, Magdeburg, Germany (2015)
Talk
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
Protein‐electrode interactions in microbial fuel cells: routes and rates of electron transfer. 1st International Solar Fuels Conference (ISF-1), Uppsala, Sweden (2015)
Talk
Hydrogen Conversion by Earth-‐Abundant Catalysts. ECOSTBIO: Third scientific workshop, Belgrade, Serbia (2015)
Talk
Biological and Bio-inspired Hydrogen Converting Catalysts. Einstein Workshop on Sustainable Chemical Transformations with Homogeneous Catalysts, Berlin, Germany (2015)
2014
Talk
Solubility determination of chiral substances using calculated crystal lattice energies. ESAT 2014 - 27th European Symposium on Applied Thermodynamics, Eindhoven, The Netherlands (2014)
Talk
Microbial hydrogen conversion in the presence of oxygen. Umeå Renewable Energy Meeting 2014, Umeå, Sweden (2014)
Talk
Hydrogen conversion in the presence of oxygen. Interface between experimental and theoretical approaches to energy-related enzyme catalysis, University College London, UK (2014)
Talk
Enzymatic Spin States. ECOSTBio Scientific Workshop, Girona, Italy (2014)
2013
Talk
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
Protein-Protein Docking Analysis and Refinement of the Ubiquitin- and Tetraubiquitin-associated IkBa/NF-kB Complex. 27th Molecular Modeling Workshop, Erlangen, Germany (2013)
Talk
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
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
Hydrogen conversion in enzymes and biomimetic systems. Bioenergetics in mitochondria, bacteria and chloroplasts, Schloss Rauischolzhausen, Germany (2013)
Talk
Proteine im Kontext: Interaktion, Katalyse und Kommunikation. Chemiedozententagung 2013, Berlin, Germany (2013)
Talk
The structural biology of the interactome and the kineticome. Ingerative Biodiversity Research, Leipzig, Germany (2013)
Talk
From Enzymes to Biomimetic Systems and Back. 10th International Hydrogenase Conference, Szeged, Hungary (2013)
Talk
The electronic structure and spin density distribution in biomimetic mixed-valence complexes. 112th Bunsentagung: Theory meets Spectroscopy, Karlsruhe, Germany (2013)
2012
Talk
Remote cofactor control of active site properties in hydrogen converting enzymes. 2012 ISQBP President´s Meeting, Stockholm, Schweden (2012)
2011
Talk
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)
Talk
Mixed-Valence Structural and Functional Mimics of Hydrogenases. Modeling of Molecular Properties, Heidelberg, Germany (2011)
Talk
Structural and Functional Mimics of Hydrogenase. 47th Symposium for Theoretical Chemistry STC 2011, Sursee, Switzerland (2011)
Talk
Computational re-design of hydrogenase enzymes. Ninth triennial congress of the World Association of Theoretical and Computational Chemists, Santiago de Compostela, Spain (2011)
Talk
Structural basis for enzyme kinetics. 2nd Max Planck LeadNet Meeting, Berlin, Germany (2011)
2010
Talk
Hydrogen Conversion- Going Back and Forth in Model Compounds. The 9th International Hydrogenase Conference, Uppsala, Sweden (2010)
Poster (65)
2022
Poster
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)
Poster
Conformational Transitions in the Catalytic Cycle of Cezanne‐1. Hybrid Workshop "Computer Simulation and Therory of Macromolecules", Hünfeld, Germany (2022)
Poster
Conformational Transitions in the Catalytic Cycle of Cezanne-1. Konferenz XI. ZOMES, Magdeburg, Germany (2022)
Poster
Conformational Transitions in the Catalytic Cycle of Cezanne-1. EMBO Workshop - Ubiquitin and ubiquitin-like proteins in health and diseases, Cavtat, Croatia (2022)
Poster
Solvent Selection for Sustainable Homogeneously Catalyzed Reactions. 58th Symposium on Theoretical Chemistry, Heidelberg, Germany (2022)