An interdisciplinary research team from Leipzig University and the Saxon AI centre ScaDS.AI has developed a novel approach that integrates artificial intelligence (AI) methods with biophysical modelling. This innovative strategy can be applied to the development of new therapeutics, such as antibodies and vaccines, including those for pandemic preparedness. The research project, conducted in collaboration with Vanderbilt University in Nashville, US, is the result of extensive preliminary work in computer-aided drug development. The study has now been published in the journal Science Advances.