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