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

Docking Result

CHEMBL385637_dpp4

Atoms: 243
Models: 9
Best Energy: -7.717 kcal/mol

Binding Energies:
  • Pose 1: -7.717 kcal/mol
  • Pose 2: -7.552 kcal/mol
  • Pose 3: -6.945 kcal/mol
  • Pose 4: -6.935 kcal/mol
  • Pose 5: -6.918 kcal/mol
  • Pose 6: -6.818 kcal/mol
  • Pose 7: -6.791 kcal/mol
  • Pose 8: -6.736 kcal/mol
  • Pose 9: -6.688 kcal/mol
CHEMBL385637_dpp4
Energy Plot
RMSD Scatter Plot