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. 2024 Jan 17;14(4):2835–2849. doi: 10.1039/d3ra07438b

The binding energy and docking score values for compounds A, B, and C.

Protein–drug complex system Binding energy (kcal mol−1) Docking score (kcal mol−1)
HSA A −35.5 −5.10
B −41.82 −8.97
C −53.78 −8.17
COX-2 A −38.63 −8.81
B −38.65 −9.5
C −45.6 −8.71