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. 2022 Jun 29;7(27):23368–23379. doi: 10.1021/acsomega.2c01600

Table 1. List of the Contents and Sizes of All Simulation Systems.

structure source solution replicates box size (Å) system notes
2KF8 ∼150 mM KCl 3 × 1 μs 50 telomeric two-tetrad GQ (Figure 1)
2KF8 ∼150 mM NaCl 3 × 1 μs 50 telomeric two-tetrad GQ (Figure 1)
5M1W ∼150 mM KCl 3 × 2 μs 62 isolated G-hairpin (Figure 2)
5M1W ∼150 mM NaCl 3 × 2 μs 62 isolated G-hairpin (Figure 2)
SC11 snapshot ∼150 mM KCl 1 × 500 ns 72 starting in G-hairpin state 2 (Figure S1)
SC11 snapshot ∼150 mM NaCl 1 × 500 ns 72 starting in G-hairpin state 2 (Figure S1)
SC11 snapshot ∼150 mM KCl 1 × 500 ns 72 starting in the triad/tetrad state (Figure S2)
SC11 snapshot ∼150 mM NaCl 1 × 1 μs 72 starting in the triad/tetrad state (Figure S2)
SC11 snapshot ∼150 mM KCl 2 × 1 μs 62 starting in the unfolded state (Figure S3)