Abstract
The structure and function of high density lipoprotein
(HDL) particles have intrigued the scientific community for decades
because of their crucial preventive role in coronary heart disease.
However, it has been a taunting task to reveal the precise molecular
structure and dynamics of HDL. Further, because of the complex
composition of HDL, understanding the impact of its structure and
dynamics on the function of HDL in reverse cholesterol
transport has also been a major issue. Recent progress in molecular
simulation methodology and computing power has made a difference, as it
has enabled essentially atomistic considerations of HDL particles over
microsecond time scales, thereby proving substantial added value to
experimental research. In this article, we discuss recent highlights
concerning the structure and dynamics of HDL particles as revealed by
atomistic and coarse-grained molecular dynamics simulations. We present
examples which demonstrate how simulations and experiments can be
carried out in unison, showing the added value that emerges from this
interplay. We also discuss the possibilities that simulations could
offer to better understand the complex phenomena associated with HDL,
the goal being to understand its function.
Original language | English |
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Pages (from-to) | 1262-1267 |
Journal | Soft Matter |
Volume | 8 |
Issue number | 5 |
DOIs | |
Publication status | Published - 2012 |
MoE publication type | A1 Journal article-refereed |