The core activity of Molecular Modelling Laboratory (MML) involves the application of quantum chemical modeling, artificial intelligence (AI), and electron microscopy for the development of immunointerventions and drug development. Specifically, the focus is on researching quantum mechanical processes in immune reactions and applying this knowledge to the therapy of infectious diseases, immune disorders, neurological diseases, and aging processes. Additionally, MML offers services in the field of computer-aided analysis of drugs, including the prediction of crystal structures and the stability of amorphous solids.