Spontaneous Penetration of Carbon Nanotubes through Lipid Bilayers: A Computational Perspective

Carbon nanotubes (CNTs) have been widely explored for applications ranging from drug delivery to energy conversion. To evaluate their potential as drug-delivery agents, it is essential to understand the molecular mechanisms governing their interactions with, and possible transport across, cell membranes. Molecular dynamics (MD) simulations provide a powerful framework for probing these processes at molecular resolution. In this study, we investigate the spontaneous membrane insertion and deep pe