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Carbon nanotubes (CNTs) are extensively adopted in the applications of biotechnology and biomedicine. Their interactions with cell membranes are of great importance for understanding the toxicity of CNTs and the application of drug delivery. In this paper, we use atomic molecular dynamics simulations to study the permeation and orientation of pristine and functionalized CNTs in a lipid bilayer. Pristine CNT (PCNT) can readily permeate into the membrane and reside in the hydrophobic regiondoi:10.3390/app9204271 fatcat:idappncxjbgyha5dfnipx2pi6q