Forschung
IR-Spektroskopie
Konferenzen und Workshops
- 09/2024: STC – Symposium on Theoretical Chemistry, Braunschweig
Poster: Computational Study on the Biocatalytic Ether Lipid Synthesis by an Achaeal Glycerolprenylase - 02/2024: WAMCC – Workshop on Advanced Methods in Computational Chemistry, Tönning
- 09/2023: AI4MedChem - Summer School on Artificial Intelligence for Medicinal Chemistry and Drug Design, Münster
- 09/2023: STC – Symposium on Theoretical Chemistry, Zürich
Poster: A Data Set for Machine Learning in Theoretical Vibrational Spectroscopy - 02/2023: WAMCC – Workshop on Advanced Methods in Computational Chemistry, Tönning
Vortrag: Webscraping - 09/2022: STC – Symposium on Theoretical Chemistry, Heidelberg
- 03/2022: WAMCC - Workshop on Advanced Methods in Quantum Chemistry
3: Biocatalytic Ether Lipid Synthesis by an Archaeal Glycerolprenylase
Felix Kaspar, Lea Eilert, Sophie Staar, Sangwar Wadtey Oung, Mario Wolter, Charity S. G. Ganskow, Sebastian Kemper, Philipp Klahn, Christoph R. Jacob, Wulf Blankenfeldt, Anett Schallmey
Angew. Chem. Int. Ed. (2024), e202412597
Online Version Preprint Version
2: Protonation and orientation: a computational approach to cocaine diffusion through a model membrane
Sangwar Wadtey Oung, Nora Kremer, Safa Ben Amara, Ali Zaidi, Thorsten Koslowski
Phys. Chem. Chem. Phys. 24 (2022), 14219-14227
Online Version
1: Uncertainty quantification in theoretical spectroscopy: The structural sensitivity of X-ray emission spectra
Sangwar Wadtey Oung, Julian Rudolph, Christoph R. Jacob
Int. J. Quantum Chem. 118 (2018), e25458
Online Version
