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Structural models of top solutions of SJ733 and cipargamin docked to ATP4 orthologues. Solution structures of SJ733 (purple molecules, left column) and cipargamin (green molecules, right column) docked to model structures of ATP4 orthologues produced by AutoDock Vina. The inset label refers to the AutoDock-calculated free energy (ΔG) dissipated during formation of each protein-drug complex in kilocalories per mole. |ΔΔG| > 1 kcal/mol indicates a significant perturbation in binding.
