A molecular dynamics investigation of the influence of hydration and temperature on structural and dynamical properties of a dimyristoylphosphatidylcholine bilayer
Article Abstract:
The structural and dynamical properties of dimyristoylphosphatidylcholine lipid bilayers at different levels of hydration and temperatures are studied by using a series of molecular dynamics simulations. The dynamical properties such as lipid diffusion and relaxation of reorientation time correlation functions are found to become slower with the removal of water.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Molecular conformations in a phospholipid bilayer extracted from dipolar couplings: a computer simulation study
Article Abstract:
Molecular dynamics (MD) simulation is used for the analysis of NMR dipolar couplings in a bilayer formed by dimyristoylphosphatidylcholine (DMPC). The results have shown that the additive potential (AP) model and the maximum entropy (ME) method (APME) is a good tool for interpreting the results in bilayers, liquid crystals and other complex chemical systems.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Surface tension parameterization in molecular dynamics simulations of a phospholipid-bilayer membrane: Calibration and effects
Article Abstract:
Molecular dynamics (MD) simulations of interfacial systems is used to determine experimental estimates of the mode of selection of either the surface area per lipid (A) or the surface tension (gamma), using a neat dimyristoylphosphatidylcholine (DMPC) bilayer comprising ninety lipids using NP(sub N)gammaT and NP(sub N)AT ensembles.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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