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• W2028627615 abstract "The present study reports the development of a template for the active binding site of Cdk5 for structure-based drug design. The developed template of Cdk5 was validated by redocking with ligands I (PBD code 1UNG), II (PBD code 1UNL) and III (PBD code 1UNH). The results demonstrate a good match of the docked and the crystallographic binding orientations with RMSD less than 2.0Å. The validation results show that the constructed Cdk5 template is a good model system for predicting ligand binding orientations and binding affinities. Furthermore, the developed template was applied to predict binding mode and binding affinity of thirty-six known Cdk5 inhibitors. The results showed that the binding energy of almost Cdk5 inhibitors related to their biological evaluation." @default.
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• W2028627615 date "2012-01-01" @default.
• W2028627615 modified "2023-09-27" @default.
• W2028627615 title "Cyclin-dependent kinases 5 template: Useful for virtual screening" @default.
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• W2028627615 doi "https://doi.org/10.1016/j.compbiomed.2011.10.014" @default.
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