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

Docking Result

CHEMBL4762591_dpp4

Atoms: 270
Models: 9
Best Energy: -8.669 kcal/mol

Binding Energies:
  • Pose 1: -8.669 kcal/mol
  • Pose 2: -8.553 kcal/mol
  • Pose 3: -8.452 kcal/mol
  • Pose 4: -8.283 kcal/mol
  • Pose 5: -8.278 kcal/mol
  • Pose 6: -8.267 kcal/mol
  • Pose 7: -8.11 kcal/mol
  • Pose 8: -7.876 kcal/mol
  • Pose 9: -7.861 kcal/mol
CHEMBL4762591_dpp4
Energy Plot
RMSD Scatter Plot