Expertise
University of Oslo, Department of Pharmacy: structure-based drug discovery via AI/ML virtual screening, GPU-accelerated MD, and free-energy methods (ABFE/RBFE/FEP) using open-source tools.
Associate Professor
University of Oslo
Oslo, Norway
University of Oslo, Department of Pharmacy: AI/ML virtual screening and FEP/MD free-energy workflows for antimicrobial and peptide drug discovery. Seeks MSCA-DN Beneficiary role; will host 1–2 DCs and lead a work package on computational lead discovery.
I am an Associate Professor of Computational Medicinal Chemistry at the University of Oslo, Department of Pharmacy, where I lead a research group in structure-based and AI-assisted drug discovery. My work integrates virtual screening, molecular docking, and rigorous free-energy methods (ABFE/RBFE) to identify and optimize small-molecule and peptide ligands for therapeutically important targets, including G protein-coupled receptors and inflammation-resolving systems. I develop and maintain open-source computational tools, including BAT.py (automated ABFE/RBFE binding free-energy workflows) and FEP-SPell (a free-energy perturbation pipeline), built on AMBER, GROMACS and OpenMM and designed for reproducible, FAIR-aligned drug discovery. In the MSCA-DN context, I offer doctoral candidate hosting at UiO, hands-on supervision in computational chemistry, and an end-to-end workflow spanning ligand design, GPU-accelerated molecular dynamics, and free-energy validation. I am particularly interested in consortia focusing on antimicrobial resistance, peptide therapeutics, and inflammation and pain biology.
Skills
Interests
Expertise
University of Oslo, Department of Pharmacy: structure-based drug discovery via AI/ML virtual screening, GPU-accelerated MD, and free-energy methods (ABFE/RBFE/FEP) using open-source tools.