Mean Autodock binding energy score and corresponding cluster occupancy with a 2 Å RMSD cutoff. C. FullerJonathan JacksonRichard M. A. EdwardsThomas WilsonAndrew J. ShirtsMichael R. 2012 <p>Representative conformations used as initial conformations for MD simulations and the cluster from which they originated are highlighted. Highly populated clusters with low mutual RMSD all exist within 2.5 kcal/mol, meaning that the docking scoring function is unable to determine a consensus bound conformation.</p>