Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Perspective on the Martini model

SJ Marrink, DP Tieleman - Chemical Society Reviews, 2013 - pubs.rsc.org
The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …

Improved parameters for the martini coarse-grained protein force field

DH De Jong, G Singh, WFD Bennett… - Journal of chemical …, 2013 - ACS Publications
The Martini coarse-grained force field has been successfully used for simulating a wide
range of (bio) molecular systems. Recent progress in our ability to test the model against …

Targeting fat: mechanisms of protein localization to lipid droplets

N Kory, RV Farese, TC Walther - Trends in cell biology, 2016 - cell.com
How proteins specifically localize to the phospholipid monolayer surface of lipid droplets
(LDs) is being unraveled. We review here the major known pathways of protein targeting to …

[HTML][HTML] Tear film lipid layer: A molecular level view

L Cwiklik - Biochimica et Biophysica Acta (BBA)-Biomembranes, 2016 - Elsevier
Human cornea is covered by an aqueous tear film, and the outermost layer of the tear film is
coated by lipids. This so-called tear film lipid layer (TFLL) reduces surface tension of the tear …

Interdigitation between triglycerides and lipids modulates surface properties of lipid droplets

A Bacle, R Gautier, CL Jackson, PFJ Fuchs, S Vanni - Biophysical journal, 2017 - cell.com
Intracellular lipid droplets (LDs) are the main cellular site of metabolic energy storage. Their
structure is unique inside the cell, with a core of esterified fatty acids and sterols, mainly …

Molecular mechanism of lipid nanodisk formation by styrene-maleic acid copolymers

M Xue, L Cheng, I Faustino, W Guo, SJ Marrink - Biophysical journal, 2018 - cell.com
Experimental characterization of membrane proteins often requires solubilization. A recent
approach is to use styrene-maleic acid (SMA) copolymers to isolate membrane proteins in …

Computational studies of lipid droplets

S Kim, JMJ Swanson, GA Voth - The Journal of Physical Chemistry …, 2022 - ACS Publications
Lipid droplets (LDs) are intracellular organelles whose primary function is energy storage.
Known to emerge from the endoplasmic reticulum (ER) bilayer, LDs have a unique structure …

Local accumulation of diacylglycerol alters membrane properties nonlinearly due to its transbilayer activity

P Campomanes, V Zoni, S Vanni - Communications Chemistry, 2019 - nature.com
Diacylglycerols (DAGs) are bioactive lipids that are ubiquitously present at low
concentrations in cellular membranes. Upon the activation of lipid remodeling enzymes such …

Systems biology strategies to study lipidomes in health and disease

T Hyötyläinen, M Orešič - Progress in lipid research, 2014 - Elsevier
Lipids are a diverse group of metabolites that have many key biological functions, acting as
structural components of cell membranes, energy storage sources and intermediates in …