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Binding energies and equilibrium dissociation constants calculated by AutoDock.

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1All sites are number according to Figure 1B. 2Corresponding to the lowest energy binding modes shown in Figure 1C. 3Output by AutoDock as estimated “inhibition” constant calculated from the estimated free energy of binding at 298.15 K. Binding energies and equilibrium dissociation constants calculated by AutoDock.

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2014-09-03
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