From mathematics to drug development Drug development is a lengthy and expensive process that requires at least ten years of research and more than a billion dollars in resources from idea to final product. The use of new mathematical approaches and modern computer technologies allows us to reduce the time and cost, mainly in the early stages of drug development. We are mostly interested in target biological molecules present in the course various diseases. At the Laboratory for Molecular Modeling, National Institute of Chemistry in Ljubljana, we develop new mathematical tools to be used in the discovery of new drugs. With algorithms based on graph theory and molecular dynamics simulation we study target biological molecules and gather important data to optimise the early stages of drug development.