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

Docking Result

CHEMBL3644797_dpp4

Atoms: 333
Models: 9
Best Energy: -8.421 kcal/mol

Binding Energies:
  • Pose 1: -8.421 kcal/mol
  • Pose 2: -8.202 kcal/mol
  • Pose 3: -8.159 kcal/mol
  • Pose 4: -7.95 kcal/mol
  • Pose 5: -7.948 kcal/mol
  • Pose 6: -7.9 kcal/mol
  • Pose 7: -7.807 kcal/mol
  • Pose 8: -7.802 kcal/mol
  • Pose 9: -7.795 kcal/mol
CHEMBL3644797_dpp4
Energy Plot
RMSD Scatter Plot