Figure 6.

Comparison of lateral pressure profiles of CL. Lateral pressure profile of CL (A) using the CHARMM force field and (B) the using OPLS-AA force field (left axis), with K⁺ and Cl⁻ ion concentration (right axis) along the bilayer normal. (C) Elastic properties of CL using different force fields. Bending rigidity (κ_c) (in kT) and tilt modulus (${\kappa }_{\theta }^b$) (in kT/nm² unit) of cardiolipin (CL) for different force fields as well as normal and oxidized forms. In this figure, CL(OPLS-AA) represents the normal form of CL, whereas CL_ox(OPLS-AA) represents the oxidized form of CL using the OPLS-AA force field. (D) Spontaneous curvature of CL for different force fields. The spontaneous curvature (C₀ in nm⁻¹) of CL is given at different hydration levels, force fields (CHARMM and OPLS-AA), and in its oxidized form. In this figure, CL_ox(OPLS-AA) represents the oxidized form of CL using the OPLS-AA force field. Error bars show the ΔC₀ value (it is calculated based on the difference of the C₀ values of each leaflet) or the standard error on κ_c estimated from subsamples, respectively. To see this figure in color, go online.