Simulation of polyethylene glycol and calcium-mediated membrane fusion - PubMed

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• PMID: 24697479
• DOI: 10.1063/1.4869176

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Simulation of polyethylene glycol and calcium-mediated membrane fusion

Martina Pannuzzo et al. J Chem Phys. 2014.

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Abstract

We report on the mechanism of membrane fusion mediated by polyethylene glycol (PEG) and Ca(2+) by means of a coarse-grained molecular dynamics simulation approach. Our data provide a detailed view on the role of cations and polymer in modulating the interaction between negatively charged apposed membranes. The PEG chains cause a reduction of the inter-lamellar distance and cause an increase in concentration of divalent cations. When thermally driven fluctuations bring the membranes at close contact, a switch from cis to trans Ca(2+)-lipid complexes stabilizes a focal contact acting as a nucleation site for further expansion of the adhesion region. Flipping of lipid tails induces subsequent stalk formation. Together, our results provide a molecular explanation for the synergistic effect of Ca(2+) and PEG on membrane fusion.

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