Kasper Harpsøe

Kasper Harpsøe is a Research Consultant and Data and Computing Facility Manager at the Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen. He has extensive expertise in computational medicinal chemistry with over 15 years of experience in molecular modeling techniques, particularly focused on G Protein-Coupled Receptors (GPCRs).

Harpsøe earned his Ph.D. in Computational Chemistry from The Danish University of Pharmaceutical Sciences in 2006 with research on "Computational Studies on the Allosteric Modulation of AMPA Receptors." He holds a Master of Science in Pharmacy (Cand. Pharm.) from The Royal Danish School of Pharmacy completed in 2001. His international experience includes a three-month traineeship at Schrödinger Inc. in New York and research collaboration with the Carlson group at the University of Michigan.

His research expertise spans structure-based design of peptide and small molecule ligands, binding site identification, docking and binding pose evaluation, protein-ligand interactions, conformational analysis, QSAR, sequence analysis, homology modeling, molecular dynamics, and quantum chemistry calculations. Harpsøe has made significant contributions to understanding GPCR structure-function relationships, ligand recognition mechanisms, and G protein coupling specificity.

Analysis of his publication record reveals a consistent focus on GPCR molecular pharmacology, with particular emphasis on serotonin receptors, orphan receptors like GPR139, and GABA receptors. His work integrates computational approaches with experimental validation to identify molecular determinants of receptor selectivity and to design novel ligands for therapeutic applications. The research bridges structural biology, molecular modeling, and medicinal chemistry in the context of drug discovery.

Harpsøe currently manages the department's Data and Computing Facility, overseeing a GPU Linux cluster and providing computational support for research groups. Previously, from 2014 to 2021, he served as project manager for computational drug design activities within the Gloriam Group, working on multidisciplinary drug discovery projects in collaboration with medicinal chemists, molecular pharmacologists, structural biologists, and data scientists from both academia and industry.