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Identification of ligand–receptor contacts of KAB-18 in the Hα4β2 nAChR model. A snapshot at 7.0 ns from MD simulation shows the induced binding mode of KAB-18 (magenta) to the epibatidine-bound (purple) interface of the Hα4 (green ribbon) and Hβ2 (blue ribbon) subunits. Key amino acids contributing to the binding of KAB-18 are shown as stick figures.
