Lipid Membrane Structure and Behavior

Examining the Biophysical Properties of the Inner Membrane of Gram-Negative ESKAPE Pathogens

This study uses molecular dynamics simulations to examine how membrane composition affects biophysical properties of the inner membrane in four Gram-negative bacteria, highlighting cardiolipin's role.

Structural Basis of Lipid Membrane Binding by Human Ferlins

This study determines the cryo-EM structures of human myoferlin and dysferlin bound to Ca2+ and lipids, revealing how their domain dynamics enable membrane binding and fusion.

Adhesion-driven vesicle translocation through membrane-covered pores

This study models vesicle translocation through membrane-covered pores, showing that adhesion energy and membrane deformation influence translocation efficiency and barrier height.

Coupling between membrane undulations and lipid curvature leads to transient local enrichment of cardiolipin in mitochondrial membranes

The paper uses molecular dynamics simulations to show cardiolipin increases membrane spontaneous curvature and reduces bending rigidity, leading to lateral heterogeneities through curvature sensing.

Computational Insights into Membrane Disruption by Cell-Penetrating Peptides

This study uses computational methods to analyze how different cell-penetrating peptides interact with and disrupt cell membranes, identifying mechanisms based on lipid composition and peptide type.

Enabling Atomistic Modeling and Simulation of Complex Curved Cellular Membranes with xMAS Builder

The paper introduces xMAS Builder, a tool that constructs atomistic membrane models for MD simulations using experimental data, and demonstrates its ability to generate stable models with insights into membrane packing density.

Cholesterol-Dependent Dimerization and Conformational Dynamics of EphA2 Receptors: Insights from Coarse-Grained and All-Atom Simulations

This study uses simulations to show cholesterol stabilizes EphA2 dimerization and TM-JM interactions with PIP2, highlighting membrane composition's role in EphA2 signaling and cancer progression.

Halogenated cholesterol alters the phase behavior of ternary lipid membranes

This study investigates how halogenated cholesterol affects lipid phase behavior in ternary membranes using cryo-EM and fluorescence microscopy.

Dissection of ergosterol metabolism reveals a pathway optimized for membrane phase separation

The paper analyzes ergosterol metabolism in yeast to show how successive modifications balance lipid ordering and fluidity for membrane phase separation.

Rational engineering of lipid-binding probes via high-throughput protein-lipid interaction screening

The paper develops a method to engineer lipid-binding probes by screening protein-lipid interactions and identifies structural features that enhance binding to phosphatidylinositol phosphates.

Plasma membrane labelling efficiency, internalization and partitioning of functionalized fluorescent lipids as a function of lipid structure

This study compares lipid-based probes for plasma membrane labeling in live, fixed, and permeabilized cells, identifying a superior probe based on its lipid structure.

Proton migration on biological membranes: Lipid phase, temperature, and composition dependence of proton transfer processes and membrane proton barrier

This study investigates how membrane phase, temperature, and lipid composition affect proton transfer and diffusion on biological membranes.

Theory of non-dilute binding and surface phase separation applied to membrane-binding proteins

This paper develops a thermodynamic model of non-dilute surface binding and phase separation for membrane-binding proteins and applies it to tight junction formation.

Modular Fluorescent Cholesterol Naphthalimide Probes And Their Application For Cholesterol Trafficking Studies In Cells

The paper develops modular fluorescent cholesterol analogs to study subcellular cholesterol trafficking, showing that head group modifications affect internalization efficiency and subcellular distribution.

RNA order regulates its interactions with zwitterionic lipid bilayers

This study uses molecular dynamics simulations to show that RNA order determines its interaction with zwitterionic lipid bilayers, explaining experimental observations about RNA affinity for gel-phase membranes.

Light Harvesting Complex II Resists Non-Bilayer Lipid-Induced Polymorphism in Plant Thylakoid Membranes via Lipid Redistribution

The paper uses simulations to show that LHCII in plant thylakoid membranes redistributes non-bilayer lipids, resisting polymorphism and controlling curvature for non-photochemical quenching.

Insertion and Anchoring of HIV-1 Fusion Peptide into Complex Membrane Mimicking Human T-cell

This study uses molecular dynamics simulations to investigate how the HIV-1 fusion peptide inserts and anchors into a T-cell membrane mimic, identifying a critical motif for fusion.

Lipid Demixing Reduces Energy Barriers for High Curvature Vesicle Budding

The paper uses continuum elastic theory to show lipid demixing reduces energy barriers for high curvature vesicle budding, but requires phase separation for significant compositional deviations.

Lipid specificity of action of SARS-CoV-2 fusion peptide fragments on model membranes

This study investigates how SARS-CoV-2 fusion peptide fragments interact with model membranes, showing the LLF motif's role in membrane fusion and how lipid composition affects fusogenic activity.

Effects of Ca2+ on the Structure and Dynamics of PIP3 in Model Membranes Containing PC and PS

This study examines how Ca2+ affects the structure and dynamics of PIP3 in model membranes with PC and PS using NMR and MD simulations.

Lipid Flipping, O-antigen Shielding, and Water Dynamics Revealed by 100-200 μs Coarse-Grained Simulations of E. coli Outer Membrane Proteins

This study uses coarse-grained simulations to analyze OMP-phospholipid interactions and water dynamics in E. coli outer membranes.

Constant-pH MD Simulations of Lipids

This paper applies constant-pH MD simulations to study pH-dependent behavior of cationic ionizable lipids in lipid nanoparticles, focusing on their apparent pKa and implications for drug delivery.

Mutual dependence between membrane phase separation and bacterial division protein dynamics in synthetic cell models

This study uses an in vitro model to show how membrane phase separation and bacterial division protein dynamics are interdependent during cell division.

Lipid oxidation alters membrane mechanics favoring permeabilization

This study investigates how lipid oxidation affects membrane mechanics and pore formation by analyzing model membrane systems.

A tuneable minimal cell membrane reveals that two lipid species suffice for life

This study shows that a minimal cell membrane with two lipid species can support life, highlighting the importance of acyl chain diversity over head group diversity.

The transmembrane domain of the desmosomal cadherin desmoglein-1 governs lipid raft association to promote desmosome adhesive strength

This study identifies the biophysical properties of desmoglein-1 transmembrane domains as key determinants of lipid raft association and desmosome adhesive function.

The Role of Cholesterol in M2 Clustering and Viral Budding Explained

This paper uses molecular dynamics simulations to show that cholesterol stabilizes M2 channel clusters, enhancing membrane curvature and promoting viral budding.

Shapes of Plasma Membrane Vesicles and PC-Cholesterol Vesicles Reveal Their Effective Spontaneous Curvature

The paper compares the reduced volume of plasma membrane vesicles and PC-cholesterol vesicles to infer their spontaneous curvature using different asymmetry conditions.

Growth of Staphylococcus aureus in the presence of oleic acid shifts the glycolipid fatty acid profile and increases resistance to antimicrobial peptides

This study shows that oleic acid alters S. aureus membrane lipid composition, increasing resistance to antimicrobial peptides by changing biophysical properties.

Encoding extracellular modification of artificial cell membranes using engineered self-translocating proteins

This paper describes a system for displaying peptides on artificial cell membranes using engineered pore-forming proteins, enabling the assembly of artificial tissue-like structures with signal transduction capabilities.