Docking scores are useful for prioritization within a defined protocol. They are not direct measurements of affinity and should not be interpreted without structural review and protocol controls.
Start with the comparison being made
State whether the score is used to compare poses of one ligand, rank related compounds, or screen a chemically diverse library. The same scoring function can behave differently across these tasks.
Review the pose before the rank
Inspect geometry, steric clashes, buried unsatisfied polar groups, coordination chemistry, conserved interactions, and whether the pose depends on an uncertain region of the structure. A favorable number does not repair implausible chemistry.
Keep controls beside candidates
Report redocking performance, reference ligands, decoys or known inactive compounds, and sensitivity to relevant preparation choices. Controls define what the protocol can and cannot distinguish.
Communicate the boundary
The conclusion should match the evidence: a docking workflow may prioritize candidates for further analysis or experiment. It does not establish binding, mechanism, selectivity, or biological activity on its own.