Research interests
The goal of our research is to improve atomic-level understanding of protein–ligand interactions using computational modeling. By combining physics-based methods (molecular dynamics simulations and molecular docking) with machine learning approaches (protein structure prediction), we investigate how small molecules interact with proteins to modulate their function. Our work focuses on G protein-coupled receptors (GPCRs) and enzymes involved in cancer and viral infections, with the goal of identifying novel strategies to accelerate drug discovery. Our techniques for virtual screening can be used to screen libraries containing billions of compounds, and top-scoring compounds are then tested experimentally through close collaboration with experimental groups. The Carlsson group is an international team of researchers at Uppsala University, which is part of the Department of Cell and Molecular Biology (https://www.uu.se/en/department/cell-and-molecular-biology). Learn more about our research and team on the group website: www.carlssonlab.org.