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

Docking Result

CHEMBL444537_dpp4

Atoms: 144
Models: 9
Best Energy: -5.583 kcal/mol

Binding Energies:
  • Pose 1: -5.583 kcal/mol
  • Pose 2: -5.554 kcal/mol
  • Pose 3: -5.546 kcal/mol
  • Pose 4: -5.432 kcal/mol
  • Pose 5: -5.337 kcal/mol
  • Pose 6: -5.321 kcal/mol
  • Pose 7: -5.153 kcal/mol
  • Pose 8: -5.149 kcal/mol
  • Pose 9: -4.979 kcal/mol
CHEMBL444537_dpp4
Energy Plot
RMSD Scatter Plot