Lipid membranes: Theory and simulations bridged to experiments

Vattulainen, Ilpo; Róg, Tomasz

doi:10.1016/j.bbamem.2016.06.007

Cited by 14 publications

(14 citation statements)

References 25 publications

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“…We here demonstrate the usefulness of our tempered fractional Gaussian noise approach to a concrete physical system. The data we have in mind are from all atom molecular dynamics simulations of lipid bilayer membranes [30]. In their simplest form, these are double layered leaves made up of relatively short amphiphilic polymers called lipids.…”

Section: Application To Lipid Molecule Dynamics In Lipid Bilayer Membmentioning

confidence: 99%

“…Immersed in water the double layer arrangement prevents the exposure of the hydrophobic tail groups to the ambient water, while the hydrophilic head groups are in contact with the water. At room temperature the lipid bilayer assumes a quite disordered liquid structure [30]. In this lipid matrix, comparatively large membrane proteins may be additionally embedded [30].…”

Section: Application To Lipid Molecule Dynamics In Lipid Bilayer Membmentioning

confidence: 99%

“…At room temperature the lipid bilayer assumes a quite disordered liquid structure [30]. In this lipid matrix, comparatively large membrane proteins may be additionally embedded [30]. Natural biological membranes are composed of lipids of many different chemistries, and they are crowded with membrane proteins.…”

Section: Application To Lipid Molecule Dynamics In Lipid Bilayer Membmentioning

confidence: 99%

“…Supercomputing studies have the task to reveal the dynamics of both proteins and lipids in such protein-decorated bilayer systems. This thermally driven diffusion of the constituents influence biological properties of the bilayer, such as diffusion limited aggregation, domain formation, or the membrane penetration by nanoparticles [30]. Figure 9 depicts the simulations results in a chemically uniform, liquid disordered lipid bilayer membrane as well as in the liquid ordered state in the presence of cholesterol molecules-the system is specified in detail in [22].…”

Section: Application To Lipid Molecule Dynamics In Lipid Bilayer Membmentioning

confidence: 99%

“…Due to active motion, also superdiffusion has been reported from several cellular systems [10,11,[27][28][29]. For a more exhaustive list of systems see the recent reviews [8,9,[30][31][32].…”

Section: Introductionmentioning

confidence: 99%

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Crossover from anomalous to normal diffusion: truncated power-law noise correlations and applications to dynamics in lipid bilayers

et al. 2018

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The emerging diffusive dynamics in many complex systems show a characteristic crossover behaviour from anomalous to normal diffusion which is otherwise fitted by two independent power-laws. A prominent example for a subdiffusive-diffusive crossover are viscoelastic systems such as lipid bilayer membranes, while superdiffusive-diffusive crossovers occur in systems of actively moving biological cells. We here consider the general dynamics of a stochastic particle driven by so-called tempered fractional Gaussian noise, that is noise with Gaussian amplitude and power-law correlations, which are cut off at some mesoscopic time scale. Concretely we consider such noise with built-in exponential or power-law tempering, driving an overdamped Langevin equation (fractional Brownian motion) and fractional Langevin equation motion. We derive explicit expressions for the mean squared displacement and correlation functions, including different shapes of the crossover behaviour depending on the concrete tempering, and discuss the physical meaning of the tempering. In the case of power-law tempering we also find a crossover behaviour from faster to slower superdiffusion and slower to faster subdiffusion. As a direct application of our model we demonstrate that the obtained dynamics quantitatively describes the subdiffusion-diffusion and subdiffusion-subdiffusion crossover in lipid bilayer systems. We also show that a model of tempered fractional Brownian motion recently proposed by Sabzikar and Meerschaert leads to physically very different behaviour with a seemingly paradoxical ballistic long time scaling. 11 A more consistent approach using the smoothening procedure of fractional Brownian motion over infinitesimally small time intervals à la Mandelbrot and van Ness [36] shows that the weak divergence of the autocorrelation function (6) at τ=0 does not lead to a change of the MSD. 12 The power-law correlations in the autocorrelation function (6) contrast the sharp δ-correlation of relation (8) [38,39]. We note that in this combination of the Langevin equation (2) and the autocorrelation function (6) the fluctuation dissipation theorem is not satisfied, and the noise ξ(t) can be considered as an external noise [40], see also the discussion of the generalised Langevin equation below.

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Section: Application To Lipid Molecule Dynamics In Lipid Bilayer Membmentioning

confidence: 99%

Section: Application To Lipid Molecule Dynamics In Lipid Bilayer Membmentioning

confidence: 99%