Vortrag (43)
2013
Vortrag
Proteine im Kontext: Interaktion, Katalyse und Kommunikation. Chemiedozententagung 2013, Berlin, Germany (2013)
Vortrag
The structural biology of the interactome and the kineticome. Ingerative Biodiversity Research, Leipzig, Germany (2013)
Vortrag
From Enzymes to Biomimetic Systems and Back. 10th International Hydrogenase Conference, Szeged, Hungary (2013)
Vortrag
The electronic structure and spin density distribution in biomimetic mixed-valence complexes. 112th Bunsentagung: Theory meets Spectroscopy, Karlsruhe, Germany (2013)
2012
Vortrag
Remote cofactor control of active site properties in hydrogen converting enzymes. 2012 ISQBP President´s Meeting, Stockholm, Schweden (2012)
2011
Vortrag
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)
Vortrag
Mixed-Valence Structural and Functional Mimics of Hydrogenases. Modeling of Molecular Properties, Heidelberg, Germany (2011)
Vortrag
Structural and Functional Mimics of Hydrogenase. 47th Symposium for Theoretical Chemistry STC 2011, Sursee, Switzerland (2011)
Vortrag
Computational re-design of hydrogenase enzymes. Ninth triennial congress of the World Association of Theoretical and Computational Chemists, Santiago de Compostela, Spain (2011)
Vortrag
Structural basis for enzyme kinetics. 2nd Max Planck LeadNet Meeting, Berlin, Germany (2011)
2010
Vortrag
Hydrogen Conversion- Going Back and Forth in Model Compounds. The 9th International Hydrogenase Conference, Uppsala, Sweden (2010)
Poster (58)
2022
Poster
Conformational Transitions in the Catalytic Cycle of Cezanne‐1. Hybrid Workshop "Computer Simulation and Therory of Macromolecules", Hünfeld, Germany (2022)
2021
Poster
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)
Poster
Accurate Receptor-Ligand Binding Free Energies from QM Conformational Chemical Space Sampling. 57th Symposium on Theoretical Chemistry, virtually (2021)
Poster
Mechanism and control of industrial multistage chemical reactions from renewable resources. Reaction mechanisms in catalysis: Faraday Discussion, virtual (2021)
Poster
Accurate receptor-ligand binding free energies from QM conformational chemical space sampling. The 2021 ISQBP Presidents´s Meeting, virtual (2021)
Poster
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)
2020
Poster
Mechanisms and control of industial multistage chemical reactions from renewable resource. 2020 Virtual AIChE Annual Meeting, virtually (angenommen)
2019
Poster
Thermodynamic and kinetic properties of novel alkanolamines for CO2 sequestration from molecular dynamics simulations. 55th Symposium Theoretical Chemistry, Rostock, Germany (2019)
Poster
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)