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

Docking Result

CHEMBL4250558_dpp4

Atoms: 279
Models: 9
Best Energy: -8.497 kcal/mol

Binding Energies:
  • Pose 1: -8.497 kcal/mol
  • Pose 2: -8.324 kcal/mol
  • Pose 3: -8.271 kcal/mol
  • Pose 4: -7.679 kcal/mol
  • Pose 5: -7.651 kcal/mol
  • Pose 6: -7.623 kcal/mol
  • Pose 7: -7.537 kcal/mol
  • Pose 8: -7.514 kcal/mol
  • Pose 9: -7.488 kcal/mol
CHEMBL4250558_dpp4
Energy Plot
RMSD Scatter Plot