Build a kinase-specific Vina protocol around receptor state, the hinge and DFG motif, controlled preparation, pose review, and validation—without mistaking a hinge contact for proof of inhibition.
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How to Build a Focused Ligand Library for Molecular Docking: Diversity, Controls, and Compound Availability
Build a focused ligand library with traceable identities, chemical diversity, target-specific controls, verified compound availability, and a versioned docking manifest.