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

Docking Result

CHEMBL394507_dpp4

Atoms: 207
Models: 9
Best Energy: -7.618 kcal/mol

Binding Energies:
  • Pose 1: -7.618 kcal/mol
  • Pose 2: -7.553 kcal/mol
  • Pose 3: -7.293 kcal/mol
  • Pose 4: -7.136 kcal/mol
  • Pose 5: -6.943 kcal/mol
  • Pose 6: -6.893 kcal/mol
  • Pose 7: -6.855 kcal/mol
  • Pose 8: -6.854 kcal/mol
  • Pose 9: -6.773 kcal/mol
CHEMBL394507_dpp4
Energy Plot
RMSD Scatter Plot