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MARDIGRAS iteratively refined the hybrid intensity matrix and optimized agreement between calculated and experimental NOE intensities.
The program MARDIGRAS iteratively refined the hybrid intensity matrix and optimized agreement between calculated and experimental NOE intensities.
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Assessment of individual features instead of a global score may also optimize agreement, and the Osteoarthritis Research Society International (OARSI) atlas is most frequently used [ 16, 17].
Rigid body refinement using SITUS (Wriggers, 2010) then locally optimized the agreement between the X-ray model and the cryoEM map (insets in Figure 1C; Video 2).
The parameters of the potential were chosen by optimizing the agreement with the melting temperature of the Trp.
However, most likely all of these improvements will be based on the same principle, i.e. to optimize the agreement between molecular classification and external information.
The objective of our inference approach is the reconstruction of models by optimizing the agreement between all of the datasets provided in the challenge and those generated by PNFL.
This algorithm aims at optimizing the agreement between the experimental data and the in silico model [ 42].
To refine the hybrid intensity matrix and optimize the agreement between calculated and experimental NOE intensities, MARDIGRAS was used.
The program MARDIGRAS (22− 24), using the RANDMARDI function, was used to iteratively refine the hybrid intensity matrix and to optimize the agreement between the experimental and calculated intensities.
The comparison between the values, experimentally optimized and RSM optimized, indicated that all values were in good agreement with each other.
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