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

Docking Result

CHEMBL230496_dpp4

Atoms: 270
Models: 9
Best Energy: -6.025 kcal/mol

Binding Energies:
  • Pose 1: -6.025 kcal/mol
  • Pose 2: -6.011 kcal/mol
  • Pose 3: -5.915 kcal/mol
  • Pose 4: -5.893 kcal/mol
  • Pose 5: -5.842 kcal/mol
  • Pose 6: -5.831 kcal/mol
  • Pose 7: -5.768 kcal/mol
  • Pose 8: -5.683 kcal/mol
  • Pose 9: -5.679 kcal/mol
CHEMBL230496_dpp4
Energy Plot
RMSD Scatter Plot