Article Dans Une Revue Journal of Physics Communications Année : 2023

Internal lipid bilayer friction coefficient from equilibrium canonical simulations

Othmène Benazieb
Lisa Berezovska
Fabrice Thalmann

Résumé

A fundamental result in the theory of Brownian motion is the Einstein-Sutherland relation between mobility and diffusion constant. Any classical linear response transport coefficient obeys a similar Einstein-Helfand relation. We show in this work how to derive the interleaflet friction coefficient of lipid bilayer by means of an adequate generalisation of the Einstein relation. Special attention must be paid in practical cases to the constraints on the system center of mass position that must be enforced when coupling the system to thermostat.

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hal-05044977 , version 1 (18-03-2026)

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Othmène Benazieb, Lisa Berezovska, Fabrice Thalmann. Internal lipid bilayer friction coefficient from equilibrium canonical simulations. Journal of Physics Communications, 2023, 7 (1), pp.011001. ⟨10.1088/2399-6528/acb313⟩. ⟨hal-05044977⟩
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