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.
- 2021. DrugPred_RNA—A Tool for Structure-Based Druggability Predictions for RNA Binding Sites. Journal of Chemical Information and Modeling.
- 2020. Targeting the Class A Carbapenemase GES-5 via Virtual Screening. Biomolecules.
- 2019. Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design. PLOS ONE. 1-19.
- 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.
- 2018. In silico identification and experimental validation of hits active against KPC-2 β-lactamase. PLOS ONE.
- 2015. To hit or not to hit, that is the question -genome-wide structure-based druggability predictions for pseudomonas aeruginosa proteins. PLOS ONE.
- 2021. The Search for Antibiotic Leads: Targeting Pantothenate Kinase in Pseudomonas aeruginosa.
- 2020. Structure-based design of pantothenate kinase inhibitors as lead structures for new antibiotics.
- 2021. Riboswitches as Drug Targets for Antibiotics. Antibiotics. 1-22.
- 2017. Ligand design for riboswitches, an emerging target class for novel antibiotics. Future Medicinal Chemistry. 1649-1662.
- 2021. An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics . ChemMedChem.
- 2017. Structure-Based Discovery of Small Molecules Binding to RNA. . I:
- 2017. RNA Therapeutics. Springer.