Research Topics - Membrane Biology
Spotlight - HDL and Nanodiscs
Spherical HDL

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Cholesterol maintains a healthy body, but too much cholesterol can lead to atherosclerosis and heart disease. Lipoproteins can bag superfluous cholesterol in the arteries and transport it to the liver for removal. One such lipoprotein is high-density lipoprotein (HDL) which self-assembles into discoidal particles (see the Mar 2007 highlight) and then bags cholesterol. How this works is the subject of a recent report. Molecular dynamics simulations using NAMD revealed that discoidal HDL particles, teaming up with the enzyme LCAT, first turn cholesterol chemically into cholesterol ester and then sucks it into the interior of the particle; in the course of this process, the HDL particle swells into a sphere. More information on our lipoprotein website.

All Spotlights

Papers

Elucidation of lipid binding sites on lung surfactant protein A using X-ray crystallography, mutagenesis and molecular dynamics simulations. Boon Chong Goh, Huixing Wu, Michael J. Rynkiewicz, Klaus Schulten, Barbara A. Seaton, and Francis X. McCormack. Biochemistry, 55:3692-3701, 2016.

The water permeability and pore entrance structure of aquaporin-4 channels depend on lipid bilayer thickness. Jihong Tong, Zhe Wu, Margaret M. Briggs, Klaus Schulten, and Thomas J. Mclntosh. Biophysical Journal, 111:90-99, 2016.

Structural refinement of proteins by restrained molecular dynamics simulations with non-interacting molecular fragments. Rong Shen, Wei Han, Giacomo Fiorin, Shahidul M. Islam, Klaus Schulten, and Benoit Roux. PLoS Computational Biology, 11:e1004368, 2015. (19 pages).

Enhanced sampling techniques in molecular dynamics simulations of biological systems. Rafael C. Bernardi, Marcelo C. R. Melo, and Klaus Schulten. Biochimica et Biophysica Acta, 1850:872-877, 2015.

A highly tilted membrane configuration for the pre-fusion state of synaptobrevin. Andrew E. Blanchard, Mark J. Arcario, Klaus Schulten, and Emad Tajkhorshid. Biophysical Journal, 107:2112-2121, 2014.

Synaptotagmin's role in neurotransmitter release likely involves Ca2+-induced conformational transition. Zhe Wu and Klaus Schulten. Biophysical Journal, 107:1156-1166, 2014.

A structural model of the active ribosome-bound membrane protein insertase YidC. Stephan Wickles, Abhishek Singharoy, Jessica Andreani, Stefan Seemayer, Lukas Bischoff, Otto Berninghausen, Johannes Soeding, Klaus Schulten, Eli van der Sluis, and Roland Beckmann. eLife, 3:e03035, 2014. (17 pages).

Integration of energy and electron transfer processes in the photosynthetic membrane of Rhodobacter sphaeroides. Michaël L. Cartron, John D. Olsen, Melih Sener, Philip J. Jackson, Amanda A. Brindley, Pu Qian, Mark J. Dickman, Graham J. Leggett, Klaus Schulten, and C. Neil Hunter. Biochimica et Biophysica Acta - Bioenergetics, 1837:1769-1780, 2014.

Structural mechanism of voltage-dependent gating in an isolated voltage-sensing domain. Qufei Li, Sherry Wanderling, Marcin Paduch, David Medovoy, Abhishek Singharoy, Ryan McGreevy, Carlos Villalba-Galea, Raymond E. Hulse, Benoit Roux, Klaus Schulten, Anthony Kossiakoff, and Eduardo Perozo. Nature Structural & Molecular Biology, 21:244-252, 2014.

The mechanism of ubihydroquinone oxidation at the Qo-site of the cytochrome bc1 complex. Antony R. Crofts, Sangjin Hong, Charles Wilson, Rodney Burton, Doreen Victoria, Chris Harrison, and Klaus Schulten. Biochimica et Biophysica Acta, 1827:1362-1377, 2013.