Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Structural and functional consequences of reversible lipid asymmetry in living membranes

M Doktorova, JL Symons, I Levental - Nature chemical biology, 2020 - nature.com
Maintenance of lipid asymmetry across the two leaflets of the plasma membrane (PM)
bilayer is a ubiquitous feature of eukaryotic cells. Loss of this asymmetry has been widely …

Plasma membranes are asymmetric in lipid unsaturation, packing and protein shape

JH Lorent, KR Levental, L Ganesan… - Nature chemical …, 2020 - nature.com
A fundamental feature of cellular plasma membranes (PMs) is an asymmetric lipid
distribution between the bilayer leaflets. However, neither the detailed, comprehensive …

Molecular dynamics simulations of membrane permeability

RM Venable, A Kramer, RW Pastor - Chemical reviews, 2019 - ACS Publications
This Review illustrates the evaluation of permeability of lipid membranes from molecular
dynamics (MD) simulation primarily using water and oxygen as examples. Membrane …

Lipidomic and biophysical homeostasis of mammalian membranes counteracts dietary lipid perturbations to maintain cellular fitness

KR Levental, E Malmberg, JL Symons, YY Fan… - Nature …, 2020 - nature.com
Proper membrane physiology requires maintenance of biophysical properties, which must
be buffered from external perturbations. While homeostatic adaptation of membrane fluidity …

Spontaneous curvature, differential stress, and bending modulus of asymmetric lipid membranes

A Hossein, M Deserno - Biophysical Journal, 2020 - cell.com
Lipid bilayers can exhibit asymmetric states, in which the physical characteristics of one
leaflet differ from those of the other. This most visibly manifests in a different lipid …

The 2018 biomembrane curvature and remodeling roadmap

P Bassereau, R Jin, T Baumgart… - Journal of physics D …, 2018 - iopscience.iop.org
The importance of curvature as a structural feature of biological membranes has been
recognized for many years and has fascinated scientists from a wide range of different …

Regulation of lipid saturation without sensing membrane fluidity

S Ballweg, E Sezgin, M Doktorova, R Covino… - Nature …, 2020 - nature.com
Cells maintain membrane fluidity by regulating lipid saturation, but the molecular
mechanisms of this homeoviscous adaptation remain poorly understood. We have …

LiPyphilic: A Python toolkit for the analysis of lipid membrane simulations

P Smith, CD Lorenz - Journal of chemical theory and computation, 2021 - ACS Publications
Molecular dynamics simulations are now widely used to study emergent phenomena in lipid
membranes with complex compositions. Here, we present LiPyphilic—a fast, fully tested …

[HTML][HTML] Simulating realistic membrane shapes

W Pezeshkian, SJ Marrink - Current opinion in cell biology, 2021 - Elsevier
Biological membranes exhibit diversity in their shapes and complexity in chemical
compositions that are linked to many cellular functions. These two central features of …