How do I select the best protein-ligand pose from a range of poses in which the ligand has been docked into each conformation of an NMR ensemble?

I have 12 ligands and an NMR protein ensemble containing 20 conformations. I docked each of the 12 ligands into all the 20 conformations using Glide XP. Glide XP gives the output as 1 best pose...

11 November 2014 1,579 5 View