Our overall research goal is to improve methods used for structure-based drug design and to apply these methods to design inhibitors for enzymes with biological relevance. A key point in our research is the interplay of theoretical and experimental methods.
To read more about what we do, check out our homepage .
For a full list of publications click here.
- 2019. Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design. PLOS ONE. 14: 1-19. doi: 10.1371/journal.pone.0216132
- 2019. How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using N-Myristoyltransferases as a Model System. Journal of Medicinal Chemistry. doi: 10.1021/acs.jmedchem.9b00586
- 2018. In silico identification and experimental validation of hits active against KPC-2 β-lactamase. PLOS ONE. 13. doi: 10.1371/journal.pone.0203241
- 2017. Ligand design for riboswitches, an emerging target class for novel antibiotics. Future Medicinal Chemistry. 9: 1649-1662. doi: 10.4155/fmc-2017-0063
- 2015. To hit or not to hit, that is the question -genome-wide structure-based druggability predictions for pseudomonas aeruginosa proteins. PLOS ONE. 19:e0137279. doi: 10.1371/journal.pone.0137279
- 2017. Structure-Based Discovery of Small Molecules Binding to RNA. Chapter. In:
- 2017. RNA Therapeutics. Springer. 259 pages. ISBN: 978-3-319-68090-3.