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

Docking Result

CHEMBL384382_dpp4

Atoms: 261
Models: 9
Best Energy: -6.077 kcal/mol

Binding Energies:
  • Pose 1: -6.077 kcal/mol
  • Pose 2: -5.573 kcal/mol
  • Pose 3: -5.527 kcal/mol
  • Pose 4: -5.414 kcal/mol
  • Pose 5: -5.005 kcal/mol
  • Pose 6: -4.949 kcal/mol
  • Pose 7: -4.935 kcal/mol
  • Pose 8: -4.886 kcal/mol
  • Pose 9: -4.766 kcal/mol
CHEMBL384382_dpp4
Energy Plot
RMSD Scatter Plot