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

Docking Result

CHEMBL456420_dpp4

Atoms: 243
Models: 9
Best Energy: -7.812 kcal/mol

Binding Energies:
  • Pose 1: -7.812 kcal/mol
  • Pose 2: -7.749 kcal/mol
  • Pose 3: -7.671 kcal/mol
  • Pose 4: -7.633 kcal/mol
  • Pose 5: -7.386 kcal/mol
  • Pose 6: -7.271 kcal/mol
  • Pose 7: -7.175 kcal/mol
  • Pose 8: -7.134 kcal/mol
  • Pose 9: -7.047 kcal/mol
CHEMBL456420_dpp4
Energy Plot
RMSD Scatter Plot