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

Docking Result

CHEMBL481669_dpp4

Atoms: 224
Models: 8
Best Energy: -7.694 kcal/mol

Binding Energies:
  • Pose 1: -7.694 kcal/mol
  • Pose 2: -7.465 kcal/mol
  • Pose 3: -7.403 kcal/mol
  • Pose 4: -7.392 kcal/mol
  • Pose 5: -7.349 kcal/mol
  • Pose 6: -7.184 kcal/mol
  • Pose 7: -7.165 kcal/mol
  • Pose 8: -6.931 kcal/mol
CHEMBL481669_dpp4
Energy Plot
RMSD Scatter Plot