It can also be seen in Table that the impact of the incorporation of receptor 'strain' in the 1traj-ar and 2traj-ar protocols is different in the DIV and THQ subsets. In the 4BJX simulations the DIV rankings are notably less good than that in the 1traj, whilst they are fairly similar in the 2OSS case. Whereas for THQ, we find that accounting for the receptor and ligand flexibility is necessary to obtain a good ranking in both cases. Overall the results from the 2OSS structure are better than those from 4BJX. However, it should be noted that the ∆G MMPBSA values for all drugs using the 1traj protocol agree within error (see Figure ).