PhD student in Computer Science

• Web development of ion channel database (ICARUS)

• Development of machine learning methods for electrostatic potential prediction

• Application of machine learning methods of moleculardynamics simulations

PhD student in Chemistry

• Computational drug design on cyclic nucleotide-gated ion channels exploiting traditional and machine learning techniques

• Molecular dynamics simulations of ion channels to investigate their modes of activation and interaction with ligands

• Prediction of binding sites and binding affinities of ligands targeting the intramembrane surface of ion channels and other membrane proteins 

PhD student in Chemistry

• Discovery and design of plastic-degrading enzymes using classical modeling and machine learning approaches

• Protein directed evolution with machine learning

• Development of interactive web interfaces (e.g. ENDURE) 

PhD student in Chemistry (co-advised with Jens Meiler)

• Computational peptide design

• Computational structural modeling of GPCRs and their interactions

• Usage of noncanonical amino acids in computational peptide design

PhD student in Bioinformatics

• Structure-based and sequence based-analysis of ligand binding sites in ion channels

• Development of a web platform for the interactive, comparative analysis of ligand binding sites in ion channels

Master student in Biochemistry

• Investigation of the conformational dynamics and energy landscape of the PAR1 G protein-coupled receptor upon activation using molecular dynamics simulation

• Investigation of tethered ligand binding to the PAR1 receptor using modeling and noncanonical amino acid cross-linking 

Master student in Bioinformatics

• Computational enzyme design

• De novo protein design with RFdiffusion

Bachelor student in Biology

• Student assistant

• Development and testing of teaching tutorials

• Setting up a deep docking pipeline for high throughput screening 

Master student in Chemistry

• Student assistant

• Development and testing of teaching tutorials

• Computer-aided drug discovery