Journal of chemical theory and computationMolecular Dynamics SimulationMonte Carlo MethodLipidsCholesterolLipid Bilayers
Systematic Parameterization of Flory-Huggins Models from Molecular Dynamics Simulations for Ternary Lipid Mixtures.
Sonali Priyadarshini Nayak, David Zwicker, John E Straub
Published: 202610.1021/acs.jctc.5c01550
Abstract
Ternary lipid mixtures with saturated and unsaturated lipids and cholesterol serve as widely used model systems to study coexisting liquid-ordered (Lo) and liquid-disordered (Ld) domains in biomembranes. Despite advances in both experiments and simul…
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