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 |