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. 2014 Jun 3;10(8):3550–3562. doi: 10.1021/ct5002297

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Simulation results can also be analyzed to extract statistics for two-dimensional histograms viz., P(δ*,R_g). Panels A and B show histograms drawn from individual, independent S-MMC and HS-MMC runs, respectively, for IDR1 tethered to the SH3 domain. HS-MMC enables the sampling of a broader range of conformations for the tethered IDR. Panel C quantifies the average overlap between pairs of two-dimensional histograms P(δ*,R_g) which are extracted from pairs of independent S-MMC (blue) and HS-MMC (green) simulations, respectively. Again, the overlap between distributions obtained using HS-MMC is higher than for S-MMC runs.