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

Docking Result

CHEMBL329966_dpp4

Atoms: 279
Models: 9
Best Energy: -7.96 kcal/mol

Binding Energies:
  • Pose 1: -7.96 kcal/mol
  • Pose 2: -7.806 kcal/mol
  • Pose 3: -7.773 kcal/mol
  • Pose 4: -7.72 kcal/mol
  • Pose 5: -7.643 kcal/mol
  • Pose 6: -7.639 kcal/mol
  • Pose 7: -7.635 kcal/mol
  • Pose 8: -7.508 kcal/mol
  • Pose 9: -7.43 kcal/mol
CHEMBL329966_dpp4
Energy Plot
RMSD Scatter Plot