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

Docking Result

CHEMBL3654418_dpp4

Atoms: 288
Models: 9
Best Energy: -5.781 kcal/mol

Binding Energies:
  • Pose 1: -5.781 kcal/mol
  • Pose 2: -5.676 kcal/mol
  • Pose 3: -5.582 kcal/mol
  • Pose 4: -5.563 kcal/mol
  • Pose 5: -5.517 kcal/mol
  • Pose 6: -5.423 kcal/mol
  • Pose 7: -5.404 kcal/mol
  • Pose 8: -5.242 kcal/mol
  • Pose 9: -5.239 kcal/mol
CHEMBL3654418_dpp4
Energy Plot
RMSD Scatter Plot