Project

Calculating permeability of drugs through liposomal membranes

Code
01CD9623
Duration
06 December 2023 → 05 June 2024
Funding
Regional and community funding: Special Research Fund
Promotor
Research disciplines
  • Natural sciences
    • Modelling and simulation
    • Molecular physics
    • Computational physics
    • (Bio)molecular modelling and design
    • Lipids
Keywords
Coarse-grained molecular dynamics permeability curved membrane drug lipid free energy
 
Project description
Liposomes are considered as advanced drug delivery systems for cancer treatment. The passive permeability of the drug through the liposome's membrane is a crucial factor for timely drug delivery. Systems with different composition and curvature are simulated using coarse-grained molecular dynamics (MD), in order to examine their effect on the permeability.