In the absence of atomic structures of high-density lipoproteins in their lipid-bound states, many molecular models have been produced based on experimental data. Using molecular dynamics, we show that a recently proposed "solar-flares" model of discoidal high-density lipoprotein is implausible. Our simulations show a collapse of the protruding solar-flare loops and a notable protein rearrangement due to an energetically unfavorable orientation of the hydrophobic protein surface toward the aqueous solvent.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2397337PMC
http://dx.doi.org/10.1529/biophysj.108.131581DOI Listing

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