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Article: Molecular Models Need to be Tested: The Case of a Solar Flares Discoidal HDL Model
- Article from:
- Biophysical Journal
- Article date:
- June 15, 2008
- Author:
CopyrightCopyright Biophysical Society Jun 15, 2008. Provided by ProQuest LLC. (Hide copyright information)
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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.
High-density lipoproteins (HDL) have been the subject of intense research for many decades because low-levels of HDL are a risk factor for coronary heart disease. However, ...