DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3330073_dpp4

Atoms: 243
Models: 9
Best Energy: -8.259 kcal/mol

Binding Energies:
  • Pose 1: -8.259 kcal/mol
  • Pose 2: -8.087 kcal/mol
  • Pose 3: -7.965 kcal/mol
  • Pose 4: -7.852 kcal/mol
  • Pose 5: -7.815 kcal/mol
  • Pose 6: -7.742 kcal/mol
  • Pose 7: -7.727 kcal/mol
  • Pose 8: -7.678 kcal/mol
  • Pose 9: -7.657 kcal/mol
CHEMBL3330073_dpp4
Energy Plot
RMSD Scatter Plot