期刊
BIOPHYSICAL JOURNAL
卷 94, 期 12, 页码 L87-L89出版社
CELL PRESS
DOI: 10.1529/biophysj.108.131581
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资金
- NCRR NIH HHS [P41 RR005969, P41-RR05969] Funding Source: Medline
- NIGMS NIH HHS [R01 GM067887, R01-GM33775, R01 GM033775, R01-GM067887] Funding Source: Medline
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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