In the calculations starting from the apo-opened P-loop conformation system the P-score identifies the Lig-04 (7SDR) and Lig-05 (7TZJ), as the most active hits. For Lig-03 (7RZC), as mentioned earlier, prolongation of the simulation is needed to increase the confidence of the binding pose. Lig-02 (7JRN) falls in the less potent (red box) left bottom corner of the graph, and for Lig-01 (7JIV) no poses were identified by the P-score, (Figure ).