Configurational entropies of lipids in pure and mixed bilayers from atomic-level and coarse-grained molecular dynamics simulations

Article Abstract:

The differences in flexibility and configurational entropy between lipid tails in fully hydrated bilayer systems and hydrocarbon liquids are demonstrated and the coarse-grained model's ability to capture the major structural and dynamical features of atomic-level ones, are shown. This is a promising step for the use of such model in molecular dynamics simulations of larger systems over longer time period.

Analysis, Molecular dynamics, Entropy (Physics), Entropy (Thermodynamics), Structure

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Interaction of oleic acid with dipalmitoylphoaphatidylcholine (DPPC) bilayers simulated by molecular dynamics

Article Abstract:

Several molecular dynamics studies are conducted to investigate the interaction of oleic acid (OA) with dipalmitoylphoaphatidylcholine (DPPC) bilayers. OA is found to disperse homogeneously in the DPPC layers at all concentrations.

Science & research, Pharmaceutical Preparation Manufacturing, Pharmaceutical preparations, Biological Product (except Diagnostic) Manufacturing, All Other Miscellaneous Chemical Product and Preparation Manufacturing, Chemical preparations, not elsewhere classified, Biological products exc. diagnostic, Liposomes, Liposome Drug Delivery Systems, Oleic Acid, Research, Composition, Phospholipids

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