We develop and employ a broad spectrum of theoretical and computational methods, ranging from classical and enhanced MD simulations to quantum chemistry. Focusing on thermodynamic and kinetic aspects of chemical interactions in biomolecular recognition, we tackle both scientifically fundamental and industrially relevant questions. In our current research projects, we profile the relation of dynamics and function of antibodies, allergens and proteases. Our tight collaborations with academic and industrial research partners facilitate a holistic scientific environment at the interface of theory and experiment.