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

Docking Result

CHEMBL499101_dpp4

Atoms: 144
Models: 9
Best Energy: -5.988 kcal/mol

Binding Energies:
  • Pose 1: -5.988 kcal/mol
  • Pose 2: -5.793 kcal/mol
  • Pose 3: -5.69 kcal/mol
  • Pose 4: -5.688 kcal/mol
  • Pose 5: -5.586 kcal/mol
  • Pose 6: -5.534 kcal/mol
  • Pose 7: -5.527 kcal/mol
  • Pose 8: -5.271 kcal/mol
  • Pose 9: -5.177 kcal/mol
CHEMBL499101_dpp4
Energy Plot
RMSD Scatter Plot