Prof. Dr. Giulia Rossetti leads the Drug Design Hub for Digital Neuropharmacology at Forschungszentrum Jülich's Institute of Neuroscience and Medicine. Her research integrates molecular simulations and data science to advance CNS drug discovery, focusing on challenging targets like neuronal membrane proteins and RNA. She specializes in computational approaches for neuropharmacology, using advanced methods such as QM/MM simulations and machine learning-enhanced sampling algorithms. Her work explores molecular mechanisms of neurological disorders, including the structural dynamics of ion channels and protein modifications in neurodegeneration. Recent publications demonstrate her focus on ligand-receptor interactions, computational drug design optimization, and the application of supercomputing to biological problems. Research consistently addresses pain pathways, neurodegenerative mechanisms, and innovative therapeutic strategies.







