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Lipids as Anchors

Lipids as Anchors

In the plasma membrane, the lipids forming the bilayer can also act as an anchor to tether proteins to the membrane. The three main types of lipid anchors found in eukaryotes are – prenyl groups, fatty acyl groups, and glycosylphosphatidylinositol or GPI groups. Prenyl and fatty acyl groups act as anchors on the cytosolic surface of the membrane, whereas GPI anchors proteins on the extracellular side.
The carboxy-terminal of most of the prenylated proteins, such as Ras proteins, contains...

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Updated: Jan 8, 2026

Facile Preparation of Internally Self-assembled Lipid Particles Stabilized by Carbon Nanotubes

Facile Preparation of Internally Self-assembled Lipid Particles Stabilized by Carbon Nanotubes

Published on: February 19, 2016

Martini 3 Building Blocks for Lipid Nanoparticle Design.

Lisbeth R Kjølbye¹, Mariana Valério^1,2,3, Markéta Paloncýová⁴

¹Molecular Microbiology and Structural Biochemistry (MMSB, UMR 5086), CNRS and University of Lyon, 69000 Lyon, France.

Journal of Chemical Theory and Computation

|December 17, 2025

Summary

This summary is machine-generated.

This study expands the Martini 3 lipid library with over 100 new models for lipid nanoparticles (LNPs) components. These tools enable coarse-grained molecular dynamics simulations for better LNP understanding and development.

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Area of Science:

Biomolecular simulations
Nanotechnology
Drug delivery systems

Background:

Lipid nanoparticles (LNPs) are crucial for drug and gene delivery but optimizing them is complex.
Current experimental methods offer limited resolution and are costly.
Atomic-level molecular dynamics (MD) simulations are computationally intensive.

Purpose of the Study:

To enhance the understanding of lipid nanoparticle (LNP) technology through improved simulation models.
To provide accurate and validated coarse-grained (CG) models for key LNP components.
To develop practical tools for simulating and analyzing LNPs.

Main Methods:

Extended the Martini 3 lipid library with over 100 new models, including ionizable lipids, sterols, and PEGylated lipids.
Developed protocols for screening LNP fusion efficacy and constructing full LNPs.
Utilized coarse-grained molecular dynamics (CG-MD) simulations.

Main Results:

Introduced a comprehensive set of CG models for essential LNP components.
Demonstrated the utility of the expanded library for simulating LNPs at CG resolution.
Showcased protocols for analyzing LNP structure, dynamics, and fusion efficiency.

Conclusions:

The expanded Martini 3 library provides a valuable toolset for CG-MD simulations of LNPs.
The developed protocols facilitate the mechanistic understanding and optimization of LNP formulations.
This work offers a scalable approach to advance LNP design and development.