Computational Medicinal Chemistry

The picture shows a ligand and its interaction with a drug target.

In computational medicinal chemistry we focus on two general research areas. One area is to develop and evaluate methods that are useful and effective for medicinal chemistry and drug discovery projects. The second area is to find promising chemical starting points for medicinal chemistry projects and aid in the development of these compounds using computer-aided drug design and multivariate analysis. The latter research area also includes theoretical investigations of reaction mechanisms in pharmaceutically relevant chemical reactions to provide a deep understanding of the reactions and to develop improved reactions protocols and reaction variants useful in the development of drugs or pharmacological probes.

Contact Christian Sköld

Contact Anders Karlén