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

Docking Result

CHEMBL97064_dpp4

Atoms: 126
Models: 9
Best Energy: -4.942 kcal/mol

Binding Energies:
  • Pose 1: -4.942 kcal/mol
  • Pose 2: -4.791 kcal/mol
  • Pose 3: -4.701 kcal/mol
  • Pose 4: -4.635 kcal/mol
  • Pose 5: -4.63 kcal/mol
  • Pose 6: -4.626 kcal/mol
  • Pose 7: -4.552 kcal/mol
  • Pose 8: -4.523 kcal/mol
  • Pose 9: -4.435 kcal/mol
CHEMBL97064_dpp4
Energy Plot
RMSD Scatter Plot