Hydration repulsion betweenmembranes and polar surfaces: Simulation approaches versus continuum theories

Matej Kanduc, Alexander Schlaich, Emanuel Schneck, Roland R. Netz – 2014

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.

Titel
Hydration repulsion betweenmembranes and polar surfaces: Simulation approaches versus continuum theories
Verfasser
Matej Kanduc, Alexander Schlaich, Emanuel Schneck, Roland R. Netz
Datum
2014
Kennung
DOI: 10.1016/j.cis.2014.02.001
Zitierweise
Adv. Colloid Interface Sci., 2014, 208, 142-152
Art
Text
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