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

Docking Result

CHEMBL4558007_dpp4

Atoms: 297
Models: 9
Best Energy: -7.709 kcal/mol

Binding Energies:
  • Pose 1: -7.709 kcal/mol
  • Pose 2: -7.618 kcal/mol
  • Pose 3: -7.478 kcal/mol
  • Pose 4: -7.359 kcal/mol
  • Pose 5: -7.098 kcal/mol
  • Pose 6: -7.084 kcal/mol
  • Pose 7: -7.071 kcal/mol
  • Pose 8: -7.027 kcal/mol
  • Pose 9: -6.938 kcal/mol
CHEMBL4558007_dpp4
Energy Plot
RMSD Scatter Plot