Looking Through Molecular Eyes: Research Groups in Graz

1) Karl Gruber (Institute of Molecular Biosciences, University of Graz)

• Research Group: Molecular Structural Biology
• Technologies: Biomolecular X-ray crystallography, molecular modeling, docking, molecular dynamics simulations
• Key Publication: Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Kumar et al. Scientific Reports 2016, 6, 23787.

2) Sandro Keller (Institute of Molecular Biosciences, University of Graz)

• Research Group: Membrane Protein Biophysics
• Technologies: polymer functionalisation, nanodisc formation, spectroscopy, scattering, calorimetry, chromatography, microfluidics, single-molecule imaging  
• Key Publication: Solubilization of membrane proteins into functional lipid-bilayer nanodiscs using a diisobutylene/maleic acid copolymer. Oluwole et al. Angew. Chem. Int. Ed. 2017, 56, 1919

3) Tobias Madl  (Otto Loewi Research Center, Medical University of Graz)

• Research Group: Signal Transduction and Metabolism
• Technologies: NMR, SAXS/SANS, Molecular modeling, Rosetta, Programming, Biomolecular X-ray Crystallography, EM, biochemical & biophysical techniques
• Key Publication: Hsp90-Tau complex reveals molecular basis for specificity in chaperone action. Karagöz et al. Cell, 2014, 156, 963.

4) Gustav Oberdorfer (Institute of Biochemistry, Graz University of Technology)

• Research Group: Protein Design and Engineering
• Technologies: Molecular modeling, Rosetta, Biomolecular X-ray Crystallography, biochemical & biophysical techniques
• Key Publication: High thermodynamic stability of parametrically designed helical bundles. Oberdorfer et al. Science, 2014, 346 (6208): 481.

5) Monika Oberer (Institute of Molecular Biosciences, University of Graz)

• Research Group: Structural biology in Lipid Metabolism
• Technologies: NMR, X-ray crystallography, biochemical & biophysical techniques
• Key Publication: The crystal structure of monoacylglycerol lipase from M. tuberculosis reveals the basis for specific inhibition. Aschauer et al. Scientific  reports. 2018; 8:8948.

6) Georg Pabst (Institute of Molecular Biosciences, University of Graz)

• Research Group: Membrane Biophysics
• Technologies: SAXS, SANS, fabrication and characterization of asymmetric membranes
• Key Publication: Metal ion cofactors modulate integral enzyme activity by varying differential membrane curvature stress. Piller et al., RSC App Interf 2025, 2, 69.

7) Tea Pavkov-Keller (Institute of Molecular Biosciences, University of Graz)

• Research Group: Bacterial Interactions and Enzyme Complexes
• Technologies: X-ray crystallography, cryo-EM, SAXS
• Key Publication: SymProFold: Structural prediction of symmetrical biological assemblies. Buhlheller et al. Nat Commun 2024, 15, 8152.

8) Pedro A. Sánchez-Murcia (Otto-Loewi Research Center, Physiological Chemistry, Medical University of Graz)

• Research Group: Computer-Aided Molecular Design (CAMDgraz)
• Technologies: molecular dynamics simulations, quantum mechanics, QM/MM, protein engineering, drug design, molecular modeling, docking 
• Key Publication: Reaction mechanism of nucleoside 2′-deoxyribosyltransferases: free-energy landscape supports an oxocarbenium ion as the reaction intermediate Sánchez-Murcia et al. Org. Biomol. Chem. 2019, 17, 7891-7899

9) Andreas Winkler (Institute of Biochemistry, Graz University of Technology)

• Research Group: Protein Dynamics, Allostery and Photobiochemistry 
• Technologies: HDX-MS, x-ray crystallography, biochemical & biophysical techniques
• Key Publication: Jon Hughes, Andreas Winkler. 2024. New Insight Into Phytochromes: Connecting Structure to Function. Annual Review of Plant Biology 75:153-183. https://doi.org/10.1146/annurev-arplant-070623-110636

10) Klaus Zangger (Institute of Chemistry, University of Graz)

• Research Group: NMR Center
• Technologies: NMR
• Key Publication: Escherichia coli antitoxin MazE as transcription factor: insights into MazE-DNA binding. Zorzini et al. Nucleic Acids Res. 2015, 43(2):1241.

11) Douwe Jan Bonthuis (Institute of Theoretical and Computational Physics, Graz University of Technology)

• Research group: Theoretical Biophysics
• Technologies: Atomistic and coarse-grained molecular dynamics simulations, Monte Carlo simulations, continuum modeling
• Key publication: Multiscale Modeling of Aqueous Electric Double Layers; Becker et al.; Chem. Rev. 2024, 124, 1−26

12) Klaus Groschner (Gottfried Schatz Research Center, Biophysics, Medical University of Graz)

• Research Group: Quantitative & Synthetic Cell Biology
• Technologies: Microscopy
• Key Publication: An optically controlled probe identifies lipid-gating fenestrations within the TRPC3 channel. Lichtenegger et al. Nat. Chem. Biol. 2018, 14(4), 396.

13) Robert Kourist (Institute of Molecular Biotechnology, Graz University of Technology)

• Research Group: Cell and Protein Engineering
• Key Publication: A one-pot cascade reaction combining an encapsulated decarboxylase with metathesis for the synthesis of bio-based antioxidants. Gómez-Baraibar et al. Angew. Chem., Int. Ed. 2016, 55 (47) 14823.

14) Bernd Nidetzky (Institute of Biotechnology and Biochemical Engineering, Graz University of Technology)

• Research Group: Biotechnology and Enzyme Technology
• Technologies: SAXS, X-ray crystallography
• Key Publication: Single-molecule study of oxidative enzymatic deconstruction of cellulose . Eibinger et al. Nat. Commun. 8, 894 (2017)

15) Bastian Daniel: Inst. of molec. Biosciences, University of Graz

• Research group: Structural Enzymology and Biocatalysis
• Technologies: X-ray crystallography, molecular modeling, docking, spectroscopy, protein design
• Key publication:  The catalytic machinery of the FAD-dependent AtBBE-like protein 15 for alcohol oxidation: Y193 and Y479 form a catalytic base, Q438 and R292 an alkoxide binding site. Messenlehner, J. and , Hetman, M., et al. Arch Biochem Biophys, 700, [108766]. 

16) Horst Lechner (Institute of Biochemistry, Graz University of Technology)

• Research Group: Enzyme Design
• Technologies: computational protein/enzyme design, docking & modeling, X-ray crystallography, biochemical & biophysical characterization
• Key Publication: An Artificial Cofactor catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host, Lechner H et al., ChemBioChem 2021, 22:1573-1577