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. 2009 Oct 7;97(7):1941–1951. doi: 10.1016/j.bpj.2009.06.054

Table 1.

Compositions (as molar ratios) and number of particles simulated in this study

Number of molecules
CER/CHOL/FFA (molar ratio) nCER nCHOL nFFA
1:0:0 128 0 0
0:1:0 0 128 0
0:0:1 0 0 512

7:1:0 112 16 0
3:1:0 96 32 0
2:1:0 86 42 0
1:1:0 64 64 0

7:0:1 120 0 16
3:0:1 110 0 36
2:0:1 102 0 52
1:0:1 86 0 84

1:1:1 52 50 52
1:2:1 32 64 32
2:1:1 64 32 32
5:5:1 60 60 12
2:2:1 56 56 32

The pure FFA system had 9020 water molecules. For all other compositions, there were 5250 water molecules.