Agile development of an open-source package for free energy calculations to predict molecule potency in an international team of six developers
Development of combined physical modeling and machine learning solutions for medicinal chemistry R&D efforts. Testing and evaluation of state-of-the-art commercial software for project implementation purposes. Supervision of a master student project. Introduction to drug discovery research workflows.
Method development and collaboration with experimental scientists with in silico rationalization in cyclic-peptide design. Planning and supervision of student projects/theses, teaching lecture seminars. Presenting work to professional audiences at international conferences.
Studying a protein-ligand complex with docking methods and molecular dynamics simulations, analysis of protein homology on a sequence level.
Biosynthesis of peptides, interaction studies with 2D-NMR, cloning, bacterial cell culture, protein purification.
Free Energy Methods: Drug-Like Molecules and Macrocycles
(Prof. Dr. Sereina Riniker) Enhancements of the free energy calculation method RE-EDS for drug design. In silico studies on membrane permeability of macrocycles.
Extra-Curricular Coursework:
Microeconomics, Macroeconomics, Human Resource Management: Leading Teams, Agile Project Management, Software Design
Drug Design, Massively Parallel Computing, Visualization of Biological Data, Structural Biology
Thesis:
Modelling Dinoflagellate luciferase-luciferin complex with constant pH MD (Prof. Dr. David van der Spoel, Prof. Dr. Oliver Kohlbacher).
Structural Biology, Organic Biochemistry, Cell Biochemistry, Applied Bioinformatics.
Thesis:
Structural studies of cell polarity proteins in context of metastasis induction (Dr. Silke Wiesner, MPI for Biology Tübingen ).
Biology, History and Informatics
As a biochemist and bioinformatician, I have a profound background in biology, chemistry, and physics. I apply computational methods to biomolecules, aiming at a deep understanding of their complex structure and function. I contribute to answering fundamental scientific or drug design questions through e.g. calculation of free energies or analysis of conformational behavior.
As a bioinformatician, I have a broad background in multiple coding languages and I keep enjoying to learn about their various aspects. Programming paradigms like object-oriented programming and functional programming are part of my coding toolbox. Parallel programming, high-performance computing, and machine learning are concepts that I am highly familiar with. I enjoy constructing and/or contributing to open-source packages.
Hiking, Archery, History