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

Docking Result

CHEMBL96183_dpp4

Atoms: 207
Models: 9
Best Energy: -6.484 kcal/mol

Binding Energies:
  • Pose 1: -6.484 kcal/mol
  • Pose 2: -6.113 kcal/mol
  • Pose 3: -6.041 kcal/mol
  • Pose 4: -5.974 kcal/mol
  • Pose 5: -5.804 kcal/mol
  • Pose 6: -5.756 kcal/mol
  • Pose 7: -5.615 kcal/mol
  • Pose 8: -5.467 kcal/mol
  • Pose 9: -5.455 kcal/mol
CHEMBL96183_dpp4
Energy Plot
RMSD Scatter Plot