Projects of Area 4 - Bioinformatics and molecular modelling




List of ongoing PhD research projects:

RESEARCH PROJECT   SUPERVISOR PhD STUDENT
Quantification of protein-protein interactions from molecular simulations   Chris Oostenbrink Ria Robins
Predicting protein complex binding affinity by integrating dynamic features and high-throughput screening data with deep learning   Chris Oostenbrink Pauline Palandre
Hybrid quantum / classical simulations of enzymes   Chris Oostenbrink Dominik Hörtnagel
Identifying innovative binders for the purification of secretory immunoglobulin A from complex matrices   Johannes Buyel Eduardo Almeida
Understanding protease selectivity for protein linker sequences   Johannes Buyel Laura Hudaková
Understanding protein-body formation and purification   Johannes Buyel Andreas Fradinger
Protein-protein interactions   Chris Oostenbrink Marc Schuh
Developing novel descriptors for chromatographic protein separation   Johannes Buyel Miriam Fernandez-Giro
Free-energy calculations in metalloproteins   Chris Oostenbrink Bettina Lier


List of completed PhD research projects:
RESEARCH PROJECT   SUPERVISOR PhD STUDENT
Binding site dynamics and solvation   Chris Oostenbrink Tea Kuvek
Fundamentals for ultrafast virus analytics   Alois Jungbauer Johanna Bacher
Mechanistic synergism between bacterial pyranose oxidase and peroxidase in lignin depolymerization   Chris Oostenbrink Enikö Hermann
Thermodynamics for allosteric modulation   Chris Oostenbrink Oriol Gracia i Carmona
Protein solubility in buffers with kosmotropic salts and polyols   Alois Jungbauer Leo Jakob
Genomic and epigenomic analysis of a plant-based expression platform for recombinant glycoproteins   Heinz Himmelbauer Matteo Schiavinato
Partitioning of virus-like particles and protein superstructures in charged hydrogels   Alois Jungbauer Patricia Aguilar
Changing the substrate specifity of lytic polysaccharide monooxygeanse   Chris Oostenbrink Erik Breslmayr
Modelling and simulations of glycosylated proteins   Chris Oostenbrink Aysegül Turupcu
Advanced molecular modeling tools to quantify protein-protein interactions   Chris Oostenbrink Manuela Maurer
Efficient free energy and enhanced sampling calculations of protein-protein interactions   Chris Oostenbrink Zuzana Jandova
Influence of surface curvature on unfolding of proteins on nanoparticles   Alois Jungbauer Peter Satzer
Modelling of interactions in miRNA and gene expression and target validation   David Kreil Smriti Shridhar
Contribution of enthalpy and entropy in molecular association   Chris Oostenbrink Balder Lai
Structure and dynamics of cellobiose dehydrogenase and cytochrome P450   Chris Oostenbrink Gabor Nagy