Fig. 5: Single and dual optimization using the unoptimized MIXED ensemble. | Communications Chemistry

Fig. 5: Single and dual optimization using the unoptimized MIXED ensemble.

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

Fig. 5

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). 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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