Paper Citing NAMD - Abstract
Thomas, Michael; Enciso, Marta; Hilder, Tamsyn A.
Insertion Mechanism and Stability of Boron Nitride Nanotubes in Lipid Bilayers
JOURNAL OF PHYSICAL CHEMISTRY B, 119:4929-4936, APR 16 2015
We provide insight into the interaction of boron nitride nanotubes (BNNTs) with cell membranes to better understand their improved biocompatibility compared to carbon nanotubes (CNTs). Contrary to CNTs, no computational studies exist investigating the insertion mechanism and stability of BNNTs in membranes. Our molecular dynamics simulations demonstrate that BNNTs are spontaneously attracted to lipid bilayers and are stable once inserted. They insert via a lipid-mediated, passive insertion mechanism. BNNTs demonstrate similar characteristics to more biocompatible functionalized CNTs.