Table 1 Structural and dynamic properties of the DOPC and RHB-DOPC bilayer systems as issuing from corresponding MD simulations.

From: Interplay between lipid lateral diffusion, dye concentration and membrane permeability unveiled by a combined spectroscopic and computational study of a model lipid bilayer

System

ApL (Å2)

Thickness (Å)

DDOPC (μm2 s−1)

DRHB (μm2 s−1)

DOPC

68.2 ± 0.8

38.6 ± 0.4

8.4 ± 0.4

—

RHB-DOPC (Average over 4 replica)

69.2 ± 0.8

38.2 ± 0.4

7.8 ± 0.4

6.7 ± 0.7

RHB-DOPC (NaCl 0.5 M)

67.7 ± 0.8

38.5 ± 0.4

7.7 ± 0.7

6.0 ± 2.1

RHBAgg-DOPC (RHB self-aggregation)

68.7 ± 0.8

37.9 ± 0.4

8.7 ± 1.0

4.0 ± 1.2

  1. Errors in ApL and thickness correspond to one standard deviation. Diffusion coefficients and corresponding uncertainties were evaluated according to the procedure described in Sec. 4.7.
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