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

Docking Result

CHEMBL396857_dpp4

Atoms: 234
Models: 9
Best Energy: -7.326 kcal/mol

Binding Energies:
  • Pose 1: -7.326 kcal/mol
  • Pose 2: -7.323 kcal/mol
  • Pose 3: -7.078 kcal/mol
  • Pose 4: -6.976 kcal/mol
  • Pose 5: -6.947 kcal/mol
  • Pose 6: -6.723 kcal/mol
  • Pose 7: -6.713 kcal/mol
  • Pose 8: -6.707 kcal/mol
  • Pose 9: -6.626 kcal/mol
CHEMBL396857_dpp4
Energy Plot
RMSD Scatter Plot