Molecular dynamics studies of lipid bilayer with gramicidin A: Effects of gramicidin a on membrane structure and hydrophobic match

2011 ◽  
Vol 112 (1) ◽  
pp. 161-170 ◽  
Author(s):  
Hiroaki Saito ◽  
Taku Mizukami ◽  
Shuhei Kawamoto ◽  
Takeshi Miyakawa ◽  
Masashi Iwayama ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Lipid Bilayer ◽  
Membrane Structure ◽  
Gramicidin A

Molecular dynamics study of gramicidin a in lipid bilayer: Structure and lateral pressure profile

2012 ◽  
Vol 112 (24) ◽  
pp. 3834-3839 ◽  
Author(s):  
Hiroaki Saito ◽  
Masashi Iwayama ◽  
Hiroyuki Takagi ◽  
Megumi Nishimura ◽  
Takeshi Miyakawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Lipid Bilayer ◽  
Lateral Pressure ◽  
Pressure Profile ◽  
Gramicidin A ◽  
Bilayer Structure ◽  
Lateral Pressure Profile

Cellular Injection Using Carbon Nanotube: A Molecular Dynamics Study

NANO ◽  
2015 ◽  
Vol 10 (02) ◽  
pp. 1550025 ◽  
Author(s):  
Seyed Hanif Mahboobi ◽  
Alireza Taheri ◽  
Hossein Nejat Pishkenari ◽  
Ali Meghdari ◽  
Mahya Hemmat
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Cell Membrane ◽  
Minimally Invasive ◽  
Lipid Bilayer ◽  
Membrane Structure ◽  
Md Simulations ◽  
Injection Process ◽  
Drug And Gene Delivery

Determination of an injection condition which is minimally invasive to the cell membrane is of great importance in drug and gene delivery. For this purpose, a series of molecular dynamics (MD) simulations are conducted to study the penetration of a carbon nanotube (CNT) into a pure POPC cell membrane under various injection velocities, CNT tilt angles and chirality parameters. The simulations are nonequilibrium and all-atom. The force and stress exerted on the nanotube, deformation of the lipid bilayer, and strain of the CNT atoms are inspected during the simulations. We found that a lower nanotube velocity results in successfully entering the membrane with minimum disruption in the CNT and the lipid bilayer, and CNT's chirality distinctly affects the results. Moreover, it is shown that the tilt angle of the CNT influences the nanotube's buckling and may result in destroying the membrane structure during the injection process.

Molecular dynamics study of electrostatic potential along lipid bilayer with gramicidin A

2013 ◽  
Author(s):  
Hiroaki Saito ◽  
Megumi Nishimura ◽  
Hiroyuki Takagi ◽  
Takeshi Miyakawa ◽  
Kazutomo Kawaguchi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Lipid Bilayer ◽  
Electrostatic Potential ◽  
Gramicidin A

scholarly journals Molecular Dynamics Study of Gramicidin A in Lipid Bilayer: Electrostatic Map and Ion Conduction

2014 ◽  
Author(s):  
Hiroaki Saito ◽  
Masashi Iwayama ◽  
Kazutomo Kawaguchi ◽  
Taku Mizukami ◽  
Takeshi Miyakawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Lipid Bilayer ◽  
Gramicidin A ◽  
Ion Conduction

scholarly journals An Alamethicin Channel in a Lipid Bilayer: Molecular Dynamics Simulations

1999 ◽  
Vol 76 (4) ◽  
pp. 1757-1769 ◽  
Author(s):  
D. Peter Tieleman ◽  
Herman J.C. Berendsen ◽  
Mark S.P. Sansom
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayer ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document