Molecular Dynamics simulations of polymer coated magnetic nanoparticles interfacing with lipid bilayers
Published:
Resources
- Undergraduate Thesis 📄: Available only in greek
- Published paper 📄: Read my paper in Biochimica et Biophysica Acta (BBA) - General Subjects
- Gromacs system setup notes : Read them here in english
Overview
The use of functionalized iron oxide nanoparticles of various chemical properties and architectures offers a new promising direction in theranostic applications. The increasing applications of nanoparticles in medicine require that these engineered nanomaterials will contact human cells without damaging essential tissues. Thus, efficient delivery must be achieved, while minimizing cytotoxicity during passage through cell membranes to reach intracellular target compartments. Molecular modeling and atomistic Molecular Dynamics (MD) simulations were performed for two magnetite nanoparticles coated with polyvinyl alcohol (PVA) and polyarabic acid (ARA) in order to assess their interactions with model DPPC membranes.