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

Docking Result

CHEMBL96080_dpp4

Atoms: 135
Models: 9
Best Energy: -5.979 kcal/mol

Binding Energies:
  • Pose 1: -5.979 kcal/mol
  • Pose 2: -5.609 kcal/mol
  • Pose 3: -5.593 kcal/mol
  • Pose 4: -5.529 kcal/mol
  • Pose 5: -5.423 kcal/mol
  • Pose 6: -5.377 kcal/mol
  • Pose 7: -5.149 kcal/mol
  • Pose 8: -4.785 kcal/mol
  • Pose 9: -4.765 kcal/mol
CHEMBL96080_dpp4
Energy Plot
RMSD Scatter Plot