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

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 J

journal_title

Biophysical journal

authors

Shih AY,Sligar SG,Schulten K

doi

10.1529/biophysj.108.131581

subject

Has Abstract

pub_date

2008-06-01 00:00:00

pages

L87-9

issue

12

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(08)70323-0

journal_volume

94

pub_type

信件
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