Molecular dynamics simulation of lipid bilayers: comparative analysis of force fields for the fluid phase

1995 ◽  
Author(s):  
V. L. Cruz ◽  
A. U. Acuña
Keyword(s):  
Molecular Dynamics ◽  
Comparative Analysis ◽  
Molecular Dynamics Simulation ◽  
Lipid Bilayers ◽  
Force Fields ◽  
Fluid Phase ◽  
Dynamics Simulation

A Molecular Dynamics Simulation Study on the Effect of Methanol on the Structural Characteristics of Lipid Bilayers

2005 ◽  
Author(s):  
Dinesh Pinisetty ◽  
Dorel Moldovan ◽  
Ram Devireddy
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lipid Bilayers ◽  
Structural Characteristics ◽  
Fluid Phase ◽  
Md Simulations ◽  
Bilayer Membrane ◽  
Dynamics Simulation ◽  
Equilibrium Conditions ◽  
Water Permeation

To further our understanding on the water permeation process through a lipid bilayer membrane in the presence of a commonly used cryoprotective agent (methanol), we performed detailed molecular dynamics simulation (MD) studies. The MD simulations analyzed the influence of methanol (12 mol %) on the structure of a fully hydrated dipalmitoylphosphatidylcholine (DPPC) in the fluid phase and under equilibrium conditions at 323K.

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