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. 2022 Apr 14;5:360. doi: 10.1038/s42003-022-03233-y

Table 3.

Details of the simulated systems.

System KR2 + Kr MAR + Kr tmBR + Kr tmBR + Ar
Lipid type and number 125 DPPC 90 DLPC 103 DPPC 103 DPPC
Simulation box size, Å 69.3 × 69.3 × 128.4 62.2 × 62.2 × 99.9 65.3 × 65.3 × 103.3 65.3 × 65.3 × 103.3
Number of noble gas atoms 240 Kr 126 Kr 140 Kr 140 Ar
Total number of atoms 60211 34382 40720 40720
Probability density map sampling box size, Å 58 × 43 × 78 55 × 45 × 62 54 × 45 × 65 53 × 42 × 64
Probability density map sampling interval, Å 0.5 0.5 0.5 0.5
Map mean value, atoms/(0.5 Å)3 0.00047 0.00046 0.00047 0.00043
Map standard deviation value, atoms/(0.5 Å)3 0.00094 0.00095 0.00087 0.00078