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A.WangY.ClaussT.LiuT.et al

References Ng, F

10.1126/science.aah5043

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Since the Vina docking calculations predict the binding modes, orientations, and conformations of small molecule inhibitors within the catalytic domain of the target protein, the docked output for the 1-MQ analog1j with an IC 50 value of 1.2 M was used to generate the predicted inhibitor-binding mode of 1j using the Auto Dock Tools (ADT) molecular graphics program