Research

cropped-model_superimpose

Specific interactions of simple molecules produce phenomena of increasing complexity, culminating with the finely tuned biological mechanisms making life possible. Understanding the structure and dynamics of these molecules key to shed light on their function and malfunction in an organism. To this end, we develop and apply methods leveraging on molecular dynamics simulations, deep learning, graph theory and optimization techniques. Our current research focuses on data fusion, protein-protein docking and integrin modelling