Building asymmetric lipid bilayers for molecular dynamics simulations: What methods exist and how to choose one?

EH Chaisson, FA Heberle, M Doktorova - Membranes, 2023 - mdpi.com
The compositional asymmetry of biological membranes has attracted significant attention
over the last decade. Harboring more differences from symmetric membranes than …

Model membrane systems used to study plasma membrane lipid asymmetry

HL Scott, KB Kennison, TA Enoki, M Doktorova… - Symmetry, 2021 - mdpi.com
It is well known that the lipid distribution in the bilayer leaflets of mammalian plasma
membranes (PMs) is not symmetric. Despite this, model membrane studies have largely …

Accurate in silico modeling of asymmetric bilayers based on biophysical principles

M Doktorova, H Weinstein - Biophysical Journal, 2018 - cell.com
Technological advances in the last decade have enabled the study of ever more complex
and physiologically relevant model membranes to help dispel the mystery surrounding the …

Modeling the lipid component of membranes

HL Scott - Current Opinion in Structural Biology, 2002 - Elsevier
During the past several years, there have been a number of advances in the computational
and theoretical modeling of lipid bilayer structural and dynamical properties. Molecular …

Simulations of asymmetric membranes illustrate cooperative leaflet coupling and lipid adaptability

M Blumer, S Harris, M Li, L Martinez… - Frontiers in Cell and …, 2020 - frontiersin.org
Biological membranes are composed of lipid bilayers that are often asymmetric with regards
to the lipid composition and/or aqueous solvent they separate. Studying lipid asymmetry …

Interactions of lipid bilayers with supports: a coarse-grained molecular simulation study

C Xing, R Faller - The Journal of Physical Chemistry B, 2008 - ACS Publications
The study of lipid structure and phase behavior at the nanoscale is of utmost importance due
to implications in understanding the role of the lipids in biochemical membrane processes …

Investigating the structural properties of hydrophobic solvent-rich lipid bilayers

V Zoni, P Campomanes, S Vanni - Soft Matter, 2021 - pubs.rsc.org
In vitro reconstitutions of lipid membranes have proven to be an indispensable tool to
rationalize their molecular complexity and to understand their role in countless cellular …

Stability of asymmetric lipid bilayers assessed by molecular dynamics simulations

S Esteban-Martín, HJ Risselada… - Journal of the …, 2009 - ACS Publications
The asymmetric insertion of amphiphiles into biological membranes compromises the
balance between the inner and outer monolayers. As a result, area expansion of the …

Shedding light on the structural properties of lipid bilayers using molecular dynamics simulation: a review study

S Moradi, A Nowroozi, M Shahlaei - RSC advances, 2019 - pubs.rsc.org
In recent years, a massive increase has been observed in the number of published articles
describing accurate and reliable molecular dynamics simulations of lipid bilayers. This is …

Exploring membrane asymmetry and its effects on membrane proteins

G Pabst, S Keller - Trends in Biochemical Sciences, 2024 - cell.com
Plasma membranes utilize free energy to maintain highly asymmetric, non-equilibrium
distributions of lipids and proteins between their two leaflets. In this review we discuss recent …