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

Docking Result

CHEMBL390886_dpp4

Atoms: 297
Models: 9
Best Energy: -5.979 kcal/mol

Binding Energies:
  • Pose 1: -5.979 kcal/mol
  • Pose 2: -5.825 kcal/mol
  • Pose 3: -5.773 kcal/mol
  • Pose 4: -5.743 kcal/mol
  • Pose 5: -5.618 kcal/mol
  • Pose 6: -5.495 kcal/mol
  • Pose 7: -5.489 kcal/mol
  • Pose 8: -5.384 kcal/mol
  • Pose 9: -5.294 kcal/mol
CHEMBL390886_dpp4
Energy Plot
RMSD Scatter Plot