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Lipid : emulsifier. NEP – Carrier of therapeutic agent. PFOB. lipid. PFOB droplet In water. Long-term goal : mechanism of passive diffusion. Theme : PFOB-NEP atomistic structural details through MD (the first report). PFOB parametrization (United).
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Lipid : emulsifier NEP – Carrier of therapeutic agent PFOB lipid PFOB droplet In water
Long-term goal : mechanism of passive diffusion Theme : PFOB-NEP atomistic structural details through MD (the first report)
PFOB parametrization (United) Melittin peptides bounded Planar PFOB-NEP interface Br quenches Trp fluorescence
Pure PFOB-water Slight overlap -> Stable separation
Dash – bilayer Solid - monolayer Choline group -> water side Methyl group -> tail side
Mean PFOB end-to-end distance Mean orientation of PFOB along the z-axis Polarization density of the PFOB weak dipole
Rdf of Br around Trp -> direct contact (0.35 nm + 0.33 nm)