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

Docking Result

CHEMBL3901191_dpp4

Atoms: 252
Models: 9
Best Energy: -8.433 kcal/mol

Binding Energies:
  • Pose 1: -8.433 kcal/mol
  • Pose 2: -8.412 kcal/mol
  • Pose 3: -7.794 kcal/mol
  • Pose 4: -7.684 kcal/mol
  • Pose 5: -7.674 kcal/mol
  • Pose 6: -7.655 kcal/mol
  • Pose 7: -7.437 kcal/mol
  • Pose 8: -7.345 kcal/mol
  • Pose 9: -7.321 kcal/mol
CHEMBL3901191_dpp4
Energy Plot
RMSD Scatter Plot