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

Docking Result

CHEMBL3343902_dpp4

Atoms: 162
Models: 9
Best Energy: -6.194 kcal/mol

Binding Energies:
  • Pose 1: -6.194 kcal/mol
  • Pose 2: -6.037 kcal/mol
  • Pose 3: -5.699 kcal/mol
  • Pose 4: -5.699 kcal/mol
  • Pose 5: -5.654 kcal/mol
  • Pose 6: -5.488 kcal/mol
  • Pose 7: -5.345 kcal/mol
  • Pose 8: -5.328 kcal/mol
  • Pose 9: -5.279 kcal/mol
CHEMBL3343902_dpp4
Energy Plot
RMSD Scatter Plot