Binding energies and equilibrium dissociation constants calculated by AutoDock.

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.1. 所有位点均按照图1B进行编号。2. 对应于图1C中展示的最低能量结合模式。3. 由AutoDock输出的预估“抑制”常数，其基于298.15 K下估算的结合自由能计算得到。4. 结合能与平衡解离常数均由AutoDock计算得出。