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. Author manuscript; available in PMC: 2021 Feb 20.
Published in final edited form as: J Phys Chem B. 2020 Feb 11;124(7):1183–1196. doi: 10.1021/acs.jpcb.9b10951

Table 2.

Graph-theoretic indices of the systems.a

System Pm (%) P≥10 (%) GSE (bit) <k> C
S1 (Ca2+) 39.4±2 24.5 3.47±0.01 2.21±0.03 0.13
S2 (Na+) 39.6±2 37.6 3.59 2.88±0.05 0.34±0.01
S3 (K+) 48.5 4.8 3.15±0.01 1.36±0.01 0.05
S4 (Ca2+/Na+/K+) 29.7±3 55.6 3.63±0.01 2.92±0.04 0.24±0.01
a

Pm and P≥10 denote the probability of finding monomers and clusters with the size ≥ 10, respectively. GSE is the graph spectral entropy of a graph, measured in ‘bits’. The <k> and C indicate average vertex degree and an average of (local) clustering coefficient ci, respectively. Standard error (SE) values are indicated only when they are greater than or equal to 0.01. Data were obtained by taking the averages over the 10 blocks of 150 ns (5 blocks per monolayer) of the systems at γ = 40 dyn/cm.