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. 2022 Nov 3;9:994915. doi: 10.3389/fmolb.2022.994915

TABLE 1.

Average and standard deviations (in kcal/mol) of the binding energy of the RNA fragment GCCCUGG to the PCBP1 RNA-binding domain for the different oxidized guanine positions. The values are determined at different times along the 1-μs trajectories.

Time (μs) Control °GCCCUG°G GCCCU°GG °GCCCUGG GCCCUG°G °GCCC°GGG
0.5–0.6 −2.1 ± 8.9 −26.4 ± 8.4 −33.2 ± 11.9 −16.1 ± 7.3 −11.7 ± 8.1 0.4 ± 12.2
0.7–0.8 −12.8 ± 8.9 −24.8 ± 7.3 −19.3 ± 9.3 −8.1 ± 7.8 −10.5 ± 8.4 −3.9 ± 10.6
0.9–1 −13.3 ± 7.7 −25.5 ± 8.1 −19.6 ± 10.9 −10.0 ± 8.7 −3.3 ± 10.6 −7.2 ± 10.6