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.
journal_name
Biophys Jjournal_title
Biophysical journalauthors
Shih AY,Sligar SG,Schulten Kdoi
10.1529/biophysj.108.131581subject
Has Abstractpub_date
2008-06-01 00:00:00pages
L87-9issue
12eissn
0006-3495issn
1542-0086pii
S0006-3495(08)70323-0journal_volume
94pub_type
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