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

Docking Result

CHEMBL3580776_dpp4

Atoms: 297
Models: 9
Best Energy: -7.273 kcal/mol

Binding Energies:
  • Pose 1: -7.273 kcal/mol
  • Pose 2: -7.073 kcal/mol
  • Pose 3: -7.072 kcal/mol
  • Pose 4: -7.053 kcal/mol
  • Pose 5: -6.785 kcal/mol
  • Pose 6: -6.777 kcal/mol
  • Pose 7: -6.67 kcal/mol
  • Pose 8: -6.366 kcal/mol
  • Pose 9: -6.363 kcal/mol
CHEMBL3580776_dpp4
Energy Plot
RMSD Scatter Plot