Paper Citing NAMD - Abstract
Raczynski, Przemyslaw; Gorny, Krzysztof; Dawid, Aleksander; Gburski, Zygmunt
Delivery of nitric oxide to the interior of mammalian cell by carbon nanotube: MD simulation
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS, 554:6-10, JUL 15 2014
Computer simulations have been performed to study the nanoindentation of phospholipid bilayer by the single-walled armchair carbon nanotube, filled with the nitric oxide molecules. The process has been simulated by means of molecular dynamics (MD) technique at physiological temperature T = 310 K with a constant pulling velocity of the nanotube. The force acting on the nanotube during membrane penetration has been calculated. We show that the indentation by carbon nanotube does not permanently destroy the membrane structure (self-sealing of the membrane occurs). The mobility of nitric oxide molecules during the membrane nanoindentation is discussed. (C) 2014 Elsevier Inc. All rights reserved.
