Meso-scale computer modeling of lipid-DNA complexes for gene therapy

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dc.creatorFarago, Oded
dc.creatorGrønbech-Jensen, Niels
dc.creatorPincus, Philip
dc.date2005-09-05
dc.date.accessioned2026-07-07T06:24:29Z
dc.date.available2026-07-07T06:24:29Z
dc.descriptionWe report on a molecular simulation method which captures the self-assembly of cationic lipid-DNA (CL-DNA) gene delivery complexes. Computational efficiency required for large length- and time-scale simulations is achieved through a coarse-grained representation of the intra-molecular details, and via inter-molecular potentials, which effectively mimic the hydrophobic effect {\em without} explicit solvent. In addition to showing spontaneous self-assembly of complexes, the broad utility of the model is illustrated by demonstrating excellent agreement with X-ray diffraction experimental data for the dependence of the spacing between DNA chains on the concentration of CLs. At high concentrations, the large electrostatic pressure induce the formation of pores in the membranes through which the DNA molecules may escape the complex. We relate this observation to the origin of recently observed enhanced transfection efficiency of lamellar CL-DNA complexes at high charge densities.
dc.description4 pages, 3 figures -- submitted for publication August 1, 2005
dc.identifierhttps://arxiv.org/abs/cond-mat/0509123
dc.identifierhttp://arxiv.org/abs/cond-mat/0509123
dc.identifierPhysical Review Letters Vol.96, 018102 (2006)
dc.identifierdoi:10.1103/PhysRevLett.96.018102
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/96559
dc.subjectSoft Condensed Matter
dc.subjectStatistical Mechanics
dc.titleMeso-scale computer modeling of lipid-DNA complexes for gene therapy
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