Mean Autodock binding energy score and corresponding cluster occupancy with a 2 Å RMSD cutoff. Jonathan C. Fuller Richard M. Jackson Thomas A. Edwards Andrew J. Wilson Michael R. Shirts 10.1371/journal.pone.0043253.g003 https://plos.figshare.com/articles/figure/_Mean_Autodock_binding_energy_score_and_corresponding_cluster_occupancy_with_a_2_197_RMSD_cutoff_/259364 <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> 2012-08-20 02:36:04 autodock binding corresponding occupancy rmsd