What we do

In the Computational Structural Biology (CSB) Group, we focus on the development of methods and algorithms to model, simulate and analyse three-dimensional protein structures and their molecular properties in order to apply these techniques to the understanding of biological processes at a molecular level. Our main emphasis is on homology modelling – using evolutionary information to model protein tertiary and quaternary structures. Applications in biomedical research include the study of protein-ligand interactions, drug discovery, structure-guided protein engineering, and the interpretation of mutations related to diseases and drug resistance. The group develops the SWISS-MODEL tool.

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Main publications 2020

  • Gervasoni Set al.
    A Comprehensive Mapping of the Druggable Cavities within the SARS-CoV-2 Therapeutically Relevant Proteins by Combining Pocket and Docking Searches as Implemented in Pockets 2.0.
    International Journal of Molecular Sciences, 10.3390/ijms21145152
  • Studer G et al.
    QMEANDisCo-distance constraints applied on model quality estimation.
    Bioinformatics, 10.1093/bioinformatics/btz828
  • Righetto R D et al.
    High-resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica
    Nature communications,10.1038/s41467-020-18870-2

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