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

scholarly journals Lateral pressure profile in bent lipid membranes and mechanosensitive channels gating

2016 ◽  
Author(s):  
Anna A. Drozdova ◽  
Sergei I. Mukhin
Keyword(s):  
Pressure Distribution ◽  
Lipid Bilayer ◽  
Lateral Pressure ◽  
Small Deviation ◽  
Finite Thickness ◽  
Analytical Calculation ◽  
Pressure Profile ◽  
Entropic Repulsion ◽  
Bending Modulus ◽  
Lateral Pressure Profile

AbstractThis review describes the analytical calculation of lateral pressure profile in the hydrophobic part of the lipid bilayer with finite curvature based on previously developed microscopic model for lipid hydrocarbon chains. According to this theory the energy per unit chain is represented as energy of flexible string (Euler’s elastic beam of finite thickness) and interaction between chains is considered as an entropic repulsion. This microscopic theory allows to obtain expression for lateral pressure distribution in bent bilayer if treating a bending as a small deviation from the flat membrane conformation and using perturbation theory. Because lateral pressure distribution is related to elastic properties of lipid bilayer then the first moment of lateral pressure and the expression for bending modulus may be derived from this theoretical model. Finally one can estimate the energy difference between two various conformational states of mechanosensitive channel embedded into the bilayer with pressure profile Пt(z).

Pressure Field in Liquid Phase Nanomembrane System

2010 ◽  
Author(s):  
N. Maftouni ◽  
M. Amininasab ◽  
F. Kowsari
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Liquid Phase ◽  
Lateral Pressure ◽  
Pressure Profile ◽  
Dynamics Simulation ◽  
Stress Profile ◽  
Pressure Tensor ◽  
A Cell ◽  
Lateral Pressure Profile

Nanomembrane is a very important part of living systems. Alive cells have lipid bilayer nanomembrane in liquid phase. The lateral pressure profile, or stress profile, across a cell nanomembrane is the result of the inhomogeneous nature of the interactions within a nanomembrane. It has been shown that the work exerted by the pressure profile when a protein conformational change takes place is significant, of the order of 10kBT, and that the lateral pressure profile averaged over the whole nanomembrane is modified by the inclusion of a protein. Indeed, understanding the full coupling for stress arising from protein-lipid interactions is of profound importance and calls for elucidation. Here proper ensembles for molecular dynamics simulation of inhomogeneous nanoscale system of nanomembrane-cytotoxin protein are introduced. The Virial pressure theorem together with using molecular dynamics simulation data are proposed to use to calculate pressure filed. The predicted pressure tensor of system without cytotoxin is compared with that of system including this protein. Finally deformation of nanomembrane is related to the variation of pressure tensor.

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 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
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