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

Docking Result

CHEMBL4783756_dpp4

Atoms: 405
Models: 9
Best Energy: -9.587 kcal/mol

Binding Energies:
  • Pose 1: -9.587 kcal/mol
  • Pose 2: -9.055 kcal/mol
  • Pose 3: -8.956 kcal/mol
  • Pose 4: -8.927 kcal/mol
  • Pose 5: -8.897 kcal/mol
  • Pose 6: -8.852 kcal/mol
  • Pose 7: -8.808 kcal/mol
  • Pose 8: -8.803 kcal/mol
  • Pose 9: -8.172 kcal/mol
CHEMBL4783756_dpp4
Energy Plot
RMSD Scatter Plot