Molecular Organization of Nalidixate Conjugated Calixarenes in Bacterial Model Membranes Probed by Molecular Dynamics Simulation and Langmuir Monolayer Studies

2015 ◽  
Vol 119 (7) ◽  
pp. 2990-3000 ◽  
Author(s):  
Beata Korchowiec ◽  
Jacek Korchowiec ◽  
Marcelina Gorczyca ◽  
Jean-Bernard Regnouf de Vains ◽  
Ewa Rogalska
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Langmuir Monolayer ◽  
Model Membranes ◽  
Dynamics Simulation ◽  
Molecular Organization ◽  
Bacterial Model

Molecular Dynamics Simulation of A Langmuir Monolayer

1991 ◽  
Vol 237 ◽  
Author(s):  
James P. Bareman ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Langmuir Monolayer ◽  
High Density ◽  
Dynamics Simulation ◽  
Density Profiles ◽  
Molecular Dynamics Calculations

AbstractMolecular dynamics calculations were carried out for a Langmuir monolayer at high density. A model was employed in which the motions of both the amphiphiles and the water are allowed, enabling investigation of the details of the water-monolayer interaction and the structure of the interface. Results are presented for the density profiles of the water and the amphiphiles and for the distribution of gauche defects.

A DMPA Langmuir Monolayer Study:  From Gas to Solid Phase. An Atomistic Description by Molecular Dynamics Simulation

Langmuir ◽  
2008 ◽  
Vol 24 (5) ◽  
pp. 1823-1828 ◽  
Author(s):  
J. J. Giner-Casares ◽  
L. Camacho ◽  
M. T. Martín-Romero ◽  
J. J. López Cascales
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid Phase ◽  
Langmuir Monolayer ◽  
Dynamics Simulation

Study of PEGylated Lipid Layers as a Model for PEGylated Liposome Surfaces: Molecular Dynamics Simulation and Langmuir Monolayer Studies

Langmuir ◽  
2011 ◽  
Vol 27 (12) ◽  
pp. 7788-7798 ◽  
Author(s):  
Michał Stepniewski ◽  
Marta Pasenkiewicz-Gierula ◽  
Tomasz Róg ◽  
Reinis Danne ◽  
Adam Orlowski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Langmuir Monolayer ◽  
Dynamics Simulation ◽  
Pegylated Liposome ◽  
Lipid Layers
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