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Related Concept Videos

Structure of Lipids03:38

Structure of Lipids

Lipids include a diverse group of compounds that are largely nonpolar in nature. This is because they are hydrocarbons that include mostly nonpolar carbon-carbon or carbon-hydrogen bonds. Non-polar molecules are hydrophobic (“water fearing”), or insoluble in water. Lipids perform many different functions in a cell. Cells store energy for long-term use in the form of fats. Lipids also provide insulation from the environment for plants and animals. For example, they help keep aquatic birds and...
Structure of Lipids03:38

Structure of Lipids

Lipids include a diverse group of compounds that are largely nonpolar in nature. This is because they are hydrocarbons that include mostly nonpolar carbon-carbon or carbon-hydrogen bonds. Non-polar molecules are hydrophobic (“water fearing”), or insoluble in water. Lipids perform many different functions in a cell. Cells store energy for long-term use in the form of fats. Lipids also provide insulation from the environment for plants and animals. For example, they help keep aquatic birds and...
Structure of Lipids03:38

Structure of Lipids

Lipids include a diverse group of compounds that are largely nonpolar in nature. This is because they are hydrocarbons that include mostly nonpolar carbon-carbon or carbon-hydrogen bonds. Non-polar molecules are hydrophobic (“water fearing”), or insoluble in water. Lipids perform many different functions in a cell. Cells store energy for long-term use in the form of fats. Lipids also provide insulation from the environment for plants and animals. For example, they help keep aquatic birds and...
Lipids as Anchors01:32

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 the...
Asymmetric Lipid Bilayer01:35

Asymmetric Lipid Bilayer

Biological membranes show uneven distribution of different types of lipids in the inner and outer layers, resulting in transverse asymmetric membranes. The treatment of the erythrocyte membrane with the enzyme phospholipase confirmed the asymmetric nature of the lipid bilayer. The enzyme hydrolyzes lipids into fatty acids and hydrophilic groups. The phospholipase acts only on the outer layer of the membrane, while the inner layer remains intact. The phospholipase treatment resulted in 80%...
Membrane Fluidity01:23

Membrane Fluidity

Cell membranes are composed of phospholipids, proteins, and carbohydrates loosely attached to one another through chemical interactions. Molecules are generally able to move about in the plane of the membrane, giving the membrane its flexible nature called fluidity. Two other features of the membrane contribute to membrane fluidity: the chemical structure of the phospholipids and the presence of cholesterol in the membrane.

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Updated: May 31, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
07:31

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

Development of the CHARMM Force Field for Lipids.

R W Pastor1, A D Mackerell

  • 1Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, MD 20892.

The Journal of Physical Chemistry Letters
|July 16, 2011
PubMed
Summary

The CHARMM all-atom lipid force field (FF) was improved to accurately simulate lipid bilayers. The C36 version now reproduces key experimental properties, enabling tensionless simulations for various lipids.

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Assembly of Cell Mimicking Supported and Suspended Lipid Bilayer Models for the Study of Molecular Interactions

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Last Updated: May 31, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
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Atomic Force Microscopy Imaging and Force Spectroscopy of Supported Lipid Bilayers
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Assembly of Cell Mimicking Supported and Suspended Lipid Bilayer Models for the Study of Molecular Interactions
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Assembly of Cell Mimicking Supported and Suspended Lipid Bilayer Models for the Study of Molecular Interactions

Published on: August 3, 2021

Area of Science:

  • Computational Chemistry
  • Biophysics
  • Materials Science

Background:

  • Early CHARMM lipid force fields (FFs) had limitations.
  • Simulations failed to reproduce zero surface tension and deuterium order parameter splitting.

Purpose of the Study:

  • Trace the development of the CHARMM additive all-atom lipid force field (FF).
  • Detail improvements leading to the C36 version.
  • Address limitations of previous FFs.

Main Methods:

  • Systematic parameter optimization using quantum mechanical data.
  • Free energy simulations.
  • Analysis of deuterium order parameters and surface tension.

Main Results:

  • The C36 FF successfully reproduces zero surface tension at experimental bilayer areas.
  • Signature splitting of deuterium order parameters is accurately captured.
  • Bilayers with diverse lipids can be simulated in tensionless ensembles.

Conclusions:

  • The C36 FF resolves critical issues in lipid bilayer simulations.
  • It enables accurate, tensionless simulations for a wide range of lipids.
  • Ongoing developments address remaining challenges.