Coarse-grained modeling of lipids

Chem Phys Lipids. 2009 Jun;159(2):59-66. doi: 10.1016/j.chemphyslip.2009.03.003. Epub 2009 Apr 2.

Abstract

Molecular modeling of phospholipids on many scales has progressed significantly over the last years. Here we review several membrane models on intermediate to large length scales restricting ourselves to particle based coarse-grained models with implicit and explicit solvent. We explain similarities and differences as well as their connection to experiments and fine-grained models. We neglect any field descriptions on larger scales. We discuss then a few examples where we focus on studies of lipid phase behavior as well as supported lipid bilayers as these examples can only be meaningfully studied using large-scale models to date.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.
  • Review

MeSH terms

  • Cell Membrane / chemistry
  • Lipid Bilayers / chemistry
  • Lipids / chemistry*
  • Liquid Crystals / chemistry
  • Models, Chemical
  • Phosphatidylcholines / chemistry
  • Phospholipids / chemistry
  • Water / chemistry

Substances

  • Lipid Bilayers
  • Lipids
  • Phosphatidylcholines
  • Phospholipids
  • Water