Highlights of our Work
2024 | 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 2004 | 2003 | 2002 | 2001
High-density lipoproteins, otherwise known as the "good cholesterol", are the body's way of naturally removing
cholesterol in the blood stream.
Since lipid and cholesterol molecules are not soluble in blood, lipoproteins are needed to collect and transport
them.
The proteins wrap themselves around the hydrophobic portions of lipids and cholesterol, effectively shielding
them from the aqueous environment and allowing them to be transported through the bloodstream to the liver for
degradation.
High-density lipoproteins exhibit a variety of shapes and sizes and presently cannot be imaged through experimental
observations.
Computational methods, however, can provide detailed images of high-density lipoprotein particles, even showing how these
particles form in the body.
As recently reported (article 1, article 2), so-called coarse-grained
molecular dynamics simulations using NAMD discovered how lipid molecules are
corralled by lipoproteins to form disc-like high-density lipoprotein particles.
The simulations show in remarkable detail the aggregation of proteins and lipids, starting from a random arrangement of lipids
that are mopped-up by two lipoproteins, eventually forcing the lipids into a disc-shape surrounded on its circumference by
belt-like lipoproteins.
For more information, see our webpages on HDL & nanodiscs and coarse-grained modeling.