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Research group: Computer-aided drug design

Research in the field of computer-aided drug design focuses on discovery/design of new bioactive molecules that can further be developed to drugs, especially to treat cancer or infectious diseases. Depending on the project, protein structure-based (e.g. virtual screening) or small molecule (ligand)-based strategies can be used. Mechanistic studies (e.g. molecular dynamics simulations) are performed to understand how different medically important receptors/enzymes function. The projects are carried out with inter-disciplinary collaborators both in Finland and abroad.


The group is part of the Structural Bioinformatics Laboratory at the Åbo Akademi University and the Biocity Research Program of “Computational and Molecular Methodologies for Life Sciences” at the Åbo Akademi University and the University of Turku. The group provides services in virtual screening, protein-ligand interaction analysis and related subjects as part of the Biocenter Finland Drug Discovery and Chemical Biology technology platform.

Contact information: outi.salo-ahen [at]

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