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

Docking Result

CHEMBL179423_dpp4

Atoms: 198
Models: 9
Best Energy: -7.966 kcal/mol

Binding Energies:
  • Pose 1: -7.966 kcal/mol
  • Pose 2: -7.852 kcal/mol
  • Pose 3: -7.724 kcal/mol
  • Pose 4: -7.587 kcal/mol
  • Pose 5: -7.528 kcal/mol
  • Pose 6: -7.526 kcal/mol
  • Pose 7: -7.514 kcal/mol
  • Pose 8: -7.443 kcal/mol
  • Pose 9: -7.427 kcal/mol
CHEMBL179423_dpp4
Energy Plot
RMSD Scatter Plot