Coarse-grained modeling of lipids.
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.
Bennun
Sandra V
SV
Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
Hoopes
Matthew I
MI
Xing
Chenyue
C
Faller
Roland
R
D002462:Cell Membrane / Q000737:chemistry; D008051:Lipid Bilayers / Q000737:chemistry; D008055:Lipids / Q000737:chemistry*; D050866:Liquid Crystals / Q000737:chemistry; D008956:Models, Chemical; D010713:Phosphatidylcholines / Q000737:chemistry; D010743:Phospholipids / Q000737:chemistry; D014867:Water / Q000737:chemistry
D008051:Lipid Bilayers; D008055:Lipids; D010713:Phosphatidylcholines; D010743:Phospholipids; D014867:Water