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 Binding site dynamics and solvation Chris Oostenbrink Tea Kuvek Free-energy calculations in metalloproteins Chris Oostenbrink Bettina Lier List of completed PhD research projects: RESEARCH PROJECT SUPERVISOR PhD STUDENT 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
