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Their bonding partner was identified from preliminary structures.
The combined automated NOE assignment and structure determination protocol was used to automatically assign the NOE cross-peaks identified in 2D NOESY spectrum and to produce preliminary structures.
Preliminary structures were calculated using a torsion angle simulated annealing protocol within CYANA and used to resolve ambiguities in the NOE assignments.
Disulfide bond restraints (with connectivity among resides 2 16, 9 22 and 15 31) were confirmed using the preliminary structures and the program PADLOC [ 40].
Their hydrogen-bond acceptors were identified from preliminary structures as well as from analysis of the characteristic NOE pattern found in α-helices and β-sheets.
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The preliminary structure-activity relationship (SAR) was discussed in detail.
The preliminary structure-activity relationships were also summarized.
A preliminary structure activity relationship (SAR) showed that the dihydropyridone scaffold is required for the activity.
Moreover, preliminary structure-activity relationships (SARs) and molecular modeling study were investigated and discussed in detail.
We here report the preliminary structure activity relationship (SAR) studies of this novel lead compound.
Preliminary structure-activity relationships (SARs) and molecular modeling of these new DANAs have been discussed.
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