Fig. 4: Single and dual optimization for all experimental data types. | Communications Chemistry

Fig. 4: Single and dual optimization for all experimental data types.

From: Extended experimental inferential structure determination method in determining the structural ensembles of disordered protein states

Fig. 4

Root-mean-square deviation (RMSDs) for all data types resulting from maximizing the X-EISD score with only a single data type or b joint optimization with PREs (orange) when operating on the unoptimized RANDOM ensemble. Mean average defined over 1000 ensembles of 100 structures; numbers in parentheses are standard deviations in score among the 1000 independently optimized ensembles of each data type. The experimental and back calculations uncertainties are given in Table 1.

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