Accelerating Convergence in Molecular Dynamics Simulations of Solutes in Lipid Membranes by Conducting a Random Walk along the Bilayer Normal

2013 ◽  
Vol 9 (8) ◽  
pp. 3686-3703 ◽  
Author(s):  
Chris Neale ◽  
Chris Madill ◽  
Sarah Rauscher ◽  
Régis Pomès
Keyword(s):  
Molecular Dynamics ◽  
Random Walk ◽  
Molecular Dynamics Simulations ◽  
Lipid Membranes ◽  
Dynamics Simulations

scholarly journals Variable tilt on lipid membranes

2014 ◽  
Vol 470 (2172) ◽  
pp. 20140463 ◽  
Author(s):  
P. Rangamani ◽  
D. J. Steigmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Membranes ◽  
Continuum Theory ◽  
Linear Version ◽  
Dynamics Simulations ◽  
Membrane Shape ◽  
Planar Membranes

A continuum theory for lipid membranes is developed that accounts for mechanical interactions between lipid tilt and membrane shape. For planar membranes, a linear version of the theory is used to predict tilt variations similar to those observed in experiments and molecular dynamics simulations.

scholarly journals Molecular dynamics simulations of carbon nanotube porins in lipid bilayers

2018 ◽  
Vol 209 ◽  
pp. 341-358 ◽  
Author(s):  
Martin Vögele ◽  
Jürgen Köfinger ◽  
Gerhard Hummer
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Lipid Membranes ◽  
Dynamics Simulations

Carbon nanotube porins embedded in lipid membranes are studied by molecular dynamics simulations.

scholarly journals An Allosteric Mechanism Inferred from Molecular Dynamics Simulations on Phospholamban Pentamer in Lipid Membranes

PLoS ONE ◽  
2011 ◽  
Vol 6 (4) ◽  
pp. e18587 ◽  
Author(s):  
Peng Lian ◽  
Dong-Qing Wei ◽  
Jing-Fang Wang ◽  
Kuo-Chen Chou
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Membranes ◽  
Allosteric Mechanism ◽  
Dynamics Simulations
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