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Binding by WT1 is complex, and these motifs may describe only one possible binding mode of the regulator.
The unusual binding mode of the UQCRFS1N peptide in CIII has not been previously observed.
Binding mode of the titled compounds was predicted using FlexX algorithm.
Our design was guided by the proposed binding mode of the preferred substrate for the cyclase.
Modeling studies were carried out to further rationalize the NPSR binding mode of the target compounds.
The binding mode of the fragments was explored using QM-polarized ligand docking.
Molecular docking studies were also performed to illustrate the binding mode of the compounds.
The binding mode of the complex has also been investigated by 1H NMR spectroscopy.
Finally, molecular docking studies were performed to predict the possible binding mode of the target compounds.
Docking was performed with protein 1KE9 to study the binding mode of the designed compounds.
Docking studies suggested the putative binding mode of the novel compounds.
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