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. 2012 Jun 12;8(7):2391–2403. doi: 10.1021/ct200390j

Table 2. Solvation Parameters σgSASA of the Three Atom Groups Derived by Partitioning via Dynamic Programming, As Shown in Figure 7a.

group
atom
solvation parameter
id. description id. type σgSASA (iqr) (kJ mol–1 nm–2) sdbs n(σgSASA)
1 charged 2, 7, 9 OM, NL, NZ –23.3 (19.0) 0.1 38325 [507350]
2 polar 1, 3, 6, 8 O, OA, NT, NR –7.3 (5.9) 0.05 20090 [1493950]
3 hydrophobic 12, 13, 14, 16 CH1, CH2, CH3, CR1 4.1 (3.6) 0.01 143152 [4191050]
a

σgSASA, median value; (iqr): interquartile range; sdbs, standard deviation of the property in 1000 bootstrap (with replacement) samples; n: number of data points. See Table 1 for a description of the atom types.