Molecular Modelling Laboratory (MML)

Molecular Modelling Laboratory (MML) applies high-throughput quantum chemical modelling, Artificial Intelligence (AI) heuristics and state-of-the-art electron microscopy to the study and development of life science immunointerventions and drug design. Quantum Immunology, MML’s flagship initiative, addresses how quantum mechanics translate into receptor-antigen triggering and how this knowledge may be applied to the therapy of infectious diseases, immune disorders, neurological conditions and aging. MML also combines theoretical modelling and Electron Energy Loss Spectroscopy (EELS) to optimize drug design through the detection of new polymorphic crystal structures and the analysis of pharmaceutical Amorphous Solid Dispersion (ASD) dynamics.