Description: Lipid membranes with transmembrane proteins in shear flow

This title appears in the Scientific Report : 2010

Lipid membranes with transmembrane proteins in shear flow

The effects of embedded proteins on the dynamical properties of lipid bilayer membranes are studied in shear flow. Coarse-grained molecular simulations are employed, in which lipids are modeled as short polymers consisting of hydrophilic head groups and hydrophobic tail monomers; similarly, transmem...

Personal Name(s):	Khoshnood, A.
	Noguchi, H. / Gompper, G.
Contributing Institute:	Theorie der Weichen Materie und Biophysik; IFF-2 Theorie der Weichen Materie und Biophysik; IAS-2
Published in:	The @journal of chemical physics, 132 (2010) S. 025101
Imprint:	Melville, NY American Institute of Physics 2010
Physical Description:	025101
PubMed ID:	20095714
DOI:	10.1063/1.3285269
Document Type:	Journal Article
Research Program:	BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung
Series Title:	Journal of Chemical Physics 132
Subject (ZB):	Computer Simulation Friction Membrane Lipids: chemistry Membrane Proteins: chemistry Models, Molecular Membrane Lipids Membrane Proteins J aggregation biological fluid dynamics biomechanics biomembranes cellular biophysics friction hydrophilicity hydrophobicity lipid bilayers molecular biophysics molecular dynamics method proteins shear flow
Link:	Get full text OpenAccess OpenAccess
	Publikationsportal JuSER

Please use the identifier: http://hdl.handle.net/2128/19508 in citations.
Please use the identifier: http://dx.doi.org/10.1063/1.3285269 in citations.

The effects of embedded proteins on the dynamical properties of lipid bilayer membranes are studied in shear flow. Coarse-grained molecular simulations are employed, in which lipids are modeled as short polymers consisting of hydrophilic head groups and hydrophobic tail monomers; similarly, transmembrane proteins are modeled as connected hydrophobic double- or triple-chain molecules with hydrophilic groups at both ends. In thermal equilibrium, rigid proteinlike molecules aggregate in a membrane of flexible lipids, while flexible proteins do not aggregate. In shear flow parallel to the membrane, the monolayers of lipid bilayer slide over each other. The presence of transmembrane proteins enhances the intermonolayer friction. The friction coefficient depends on the chain lengths of lipids, the membrane tension, the length of the protein, and the cluster size. It is found to increase with protein length (with positive mismatch, i.e., proteins which are longer than the membrane thickness) and protein cluster size. In flow, proteins get oriented in the flow direction to reduce friction, with large fluctuations of the orientation angle.