Kanduc, MatejMatejKanducSchlaich, AlexanderAlexanderSchlaichSchneck, EmanuelEmanuelSchneckNetz, Roland R.Roland R.Netz2025-04-022025-04-022014Advances in Colloid and Interface Science 208: 142-152 (2014)https://hdl.handle.net/11420/55148A 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.en0001-86862014142152Biological membranes | Hydration repulsion | Landau theory | MD simulations | Order parameters | PhospholipidsTechnology::620: EngineeringResource Types::Contribution to Journal::Review Article10.1016/j.cis.2014.02.001Review Article