Simulating Lipid Monolayers
- Last Updated: Wednesday, 21 August 2013 11:42
The Martini force field can be used to study the behavior of lipid monolayers in detail, both for pure lipid systems and in combination with peptides and proteins. Although quantitative reproduction of the pressure-area isotherms at low surface pressure remains challenging , the model is well suited to study properties of monolayers in the liquid-expanded and liquid-condensed phase [1,3], and to study for instance the collapse of lipid monolayers at high surface pressure  as illustrated by the figure. Mixed monolayers have also been studied, e.g. to model the tear fluid lipid layer [5,6] or look at phase coexistence , and to study monolayer collapse in the presence of lung surfactant proteins [8,9]. Compression of bilayers to form tethers has also been addressed with Martini .
-  S. Baoukina, S.J. Marrink, D.P. Tieleman. Lateral pressure profiles in lipid monolayers. Farad. Discuss., 144:393-409, 2010.
-  S. Baoukina, L. Monticelli, H.J. Risselada, S.J. Marrink, D.P. Tieleman. The molecular mechanism of lipid monolayer collapse. PNAS, 105:10803-10808, 2008.
-  S. Baoukina, L. Monticelli, S.J. Marrink, D.P. Tieleman. The pressure-area isotherm of a lipid monolayer from molecular dynamics simulations. Langmuir, 23:12617-12623, 2007.
-  S. Baoukina, S.J. Marrink, D.P. Tieleman. Molecular structure of membrane tethers. Biophys. J., 102:1866-1871, 2012. open access
-  P. Kulovesi, J. Telenius, ... I. Vattulainen, J.M. Holopainen. Molecular organization of the tear fluid lipid layer. Biophys. J. 99:2559-2567, 2010.
-  J. Telenius, A. Koivuniemi, P. Kulovesi, J.M Holopainen, I. Vattulainen. Role of neutral lipids in tear fluid lipid layer: Coarse-grained simulation study. Just Accepted, 2012. DOI: 10.1021/la304366d
-  S. Baoukina, E. Mendez-Villuendas, D.P. Tieleman. Molecular View of Phase Coexistence in Lipid Monolayers. J. Am. Chem. Soc. 134:17543–17553, 2012.
-  S. Baoukina, D.P. Tieleman. Lung Surfactant Protein SP-B Promotes Formation of Bilayer Reservoirs from Monolayer and Lipid Transfer between the Interface and Subphase. Biophys. J. 100:1678-1687, 2011.
-  S.L. Duncan, R.G. Larson. Folding of lipid monolayers containing lung surfactant proteins SP-B1–25 and SP-C studied via coarse-grained molecular dynamics simulations. BBA-Biomembr 1798:1632-1650, 2010.