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. 2019 Aug 13;6:64. doi: 10.3389/fmolb.2019.00064

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FF parameters learned from the PaaA2 simulations used to simulate the SH4UD IDR improves the fit to experimental SAXS data. Although the factor of improvement (FI) is lower than the other two systems (A), the fit to the experimental data as seen from the Kratky plot (B) shows better agreement in the mid-q range. This allows us to determine that the parameters learned from one simulation can be used reasonably on other proteins as well. Further fine-tuning may be essential to obtain better fits (especially with solvent-protein interactions). (C) and (D) highlight the same information as in (A) and (B) but for longer timescales. Note that the factor of improvement has reversed.