SUMMARY: An Ghysels’s research is located at the intersection between method development and the more application oriented research of the BioMMeda group at the Institute of Biomedical Engineering and Technology (IBiTech). She primarily works with simulations at the molecular scale. She has broad experience in the development of new models for large systems from a physics point of view, such as thermodynamic models, diffusion in porous systems with molecular dynamics simulations, reaction kinetics with transition state theory, adsorption properties with Monte Carlo simulations, and bending moduli calculations using quantum mechanics. One research line is simulations of membrane permeability with extensions to analytical larger-scale models of diffusive transport. A particular application is the study of oxygen distribution in myelin sheaths or tumors, and the final steps of oxygen transport to its final destination in the mitochondria. Another area of research is binding kinetics of ligands to proteins and personalized medicine.