%0 Figure %A C. Fuller, Jonathan %A Jackson, Richard M. %A A. Edwards, Thomas %A Wilson, Andrew J. %A Shirts, Michael R. %D 2012 %T Mean Autodock binding energy score and corresponding cluster occupancy with a 2 Å RMSD cutoff. %U https://plos.figshare.com/articles/figure/_Mean_Autodock_binding_energy_score_and_corresponding_cluster_occupancy_with_a_2_197_RMSD_cutoff_/259364 %R 10.1371/journal.pone.0043253.g003 %2 https://ndownloader.figshare.com/files/588878 %K autodock %K binding %K corresponding %K occupancy %K rmsd %X

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.

%I PLOS ONE