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To clarify the binding mode of complexes, it was done competition studies with Hoechst and Neutral red as groove binder and intercalative probes, respectively.
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Docking study was used to elucidate the binding modes of complex 2 with MEK1.
The binding mode of the complex has also been investigated by 1H NMR spectroscopy.
To predict the binding mode of the complex, molecular docking simulations were performed with AutoDock 4.0[32], [33] docking tool.
Using computational docking, it was possible to identify a shallow carbohydrate-binding site on the IL8 surface and construct 3D models of the binding mode of a complex and highly charged oligosaccharide.
The binding mode of compound 23 complexed with VEGFR-2 was predicted using FlexX algorithm.
The 1 1 binding mode of the metal complex was established by combined UV vis, fluorescence, NMR and HRMS spectroscopic methods.
Prediction of the binding mode of 39f in complex with an active-state CB2 homology model provided structural insights into its high affinity for CB2.
Moreover; the complicated binding mode of metal-ligand complex has been explored by UV Vis, LC-MS, FIR, Fluorescence titration, Job's plot method and theoretical approaches.
The binding mode of B1 in complex with cSrc was determined using X-ray crystallography.
The binding modes of the complexes were determined to be a 1 1 complexation stoichiometry through Job plot, 1H NMR titration, and ESI-mass spectrometry analysis.
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