TABLE 2.
Results for the average area per DPPC in units of nm2 based on the Voronoi analysis for all simulated systems
System | 〈A〉 | R ≤ 1.0 nm | 1.0 nm < R ≤ 1.5 nm | 1.5 nm < R ≤ 2.0 nm | R > 2.0 nm |
---|---|---|---|---|---|
Pure DPPC | 0.691 ± 0.004 | — | — | — | — |
1DPH-0 | 0.681 ± 0.004 | 0.634 ± 0.024 | 0.647 ± 0.018 | 0.681 ± 0.011 | 0.683 ± 0.005 |
1DPH-qm | 0.683 ± 0.003 | 0.637 ± 0.048 | 0.659 ± 0.022 | 0.677 ± 0.010 | 0.684 ± 0.004 |
3DPH-0 | 0.676 ± 0.003 | 0.634 ± 0.018 | 0.662 ± 0.011 | 0.679 ± 0.010 | 0.679 ± 0.003 |
3DPH-qm | 0.676 ± 0.005 | 0.629 ± 0.022 | 0.654 ± 0.016 | 0.677 ± 0.010 | 0.678 ± 0.005 |
In the second column for 〈A〉, all DPPC molecules in the system are taken into account. In the third through sixth columns, the average area per DPPC is given for a fraction of lipids in a system, as a function of R which is the distance from the center of mass of DPPC to the center of mass of nearest DPH.