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Ligand binding modes were analyzed using LigandScout 3 software (www.inteligand.com).
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Two compounds ZINC13359679 and ZINC02576132 were found to be the most promising lead candidates for TcTS inhibition, and their binding modes are analyzed in detail.
The docked binding mode was analyzed for interactions between compounds and the key residues of CDK8.
The docked binding mode was analyzed for the interactions between specific compounds and CDK8. Figure 4a shows the binding mode of the active four compounds into the active site of CDK8.
These modes are analyzed for depth (matched-mode processing) and distance (mode phase processing) localization.
The information fusion mode was analyzed.
The probable mechanisms and the proposed binding modes were discussed.
These binding modes were subsequently confirmed by X-ray crystallography.
These binding modes are sensitive to salt, temperature, pH, and binding density (Lohman and Ferrari, 1994).
The binding properties were analyzed in competitive binding, internalization, and cell surface retention experiments.
The binding kinetics were analyzed by BIAevaluation software (Biacore) using a 1 1 Langmuir binding model.
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