Hydration repulsion between membranes and polar surfaces: Simulation approaches versus continuum theories

Publikationstyp
Review Article
Date Issued
2014
Sprache
English
Author(s)
Kanduc, Matej  
Schlaich, Alexander  
Schneck, Emanuel  
Netz, Roland R.  
TORE-URI
https://hdl.handle.net/11420/55148
Journal
Advances in Colloid and Interface Science  
Volume
208
Start Page
142
End Page
152
Citation
Advances in Colloid and Interface Science 208: 142-152 (2014)
Publisher DOI
10.1016/j.cis.2014.02.001
Scopus ID
2-s2.0-84899957074
ISSN
00018686
A review of various computer simulation approaches for the study of the hydration repulsion between lipid membranes and polar surfaces is presented. We discuss different methods and compare their advantages and limitations. We consider interaction pressures, interaction thermodynamics, and interaction mechanisms. We take a close look at the influence of the experimental boundary conditions and at repulsion mechanisms due to the unfavorable overlap of interfacial water layers. To this end, we analyze several distinct water order parameters in simulations of interacting polar surfaces and compare the results to the predictions of simple continuum theories. © 2014 Elsevier B.V.
Subjects
Biological membranes | Hydration repulsion | Landau theory | MD simulations | Order parameters | Phospholipids
DDC Class
620: Engineering