Abstract:Molecular dynamics
(MD) simulations in the MARTINI model are used
to study the assembly of 1-palmitoyl-2-oleoylphosphatidylcholine (POPC)
molecules under spatial confinement, such as during solvent evaporation
from ultrasmall (femtoliter quantity) droplets. The impact of surface
polarity on molecular assembly is discussed in detail. To the best
of our knowledge, this work represents the first of its kind. Our
results reveal that solvent evaporation gives rise to the formation
of well-defined stacks of lipid bi… Show more
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