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

Docking Result

CHEMBL250353_dpp4

Atoms: 324
Models: 9
Best Energy: -8.441 kcal/mol

Binding Energies:
  • Pose 1: -8.441 kcal/mol
  • Pose 2: -8.326 kcal/mol
  • Pose 3: -8.06 kcal/mol
  • Pose 4: -7.873 kcal/mol
  • Pose 5: -7.779 kcal/mol
  • Pose 6: -7.765 kcal/mol
  • Pose 7: -7.699 kcal/mol
  • Pose 8: -7.425 kcal/mol
  • Pose 9: -7.387 kcal/mol
CHEMBL250353_dpp4
Energy Plot
RMSD Scatter Plot