Molecular models need to be tested: The case of a solar flares discoidal HDL model

Amy Y. Shih, Stephen G. Sligar, Klaus Schulten

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish (US)
Pages (from-to)L87-L89
JournalBiophysical journal
Volume94
Issue number12
DOIs
StatePublished - Jun 15 2008

ASJC Scopus subject areas

  • Biophysics

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