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

Docking Result

CHEMBL3618137_dpp4

Atoms: 279
Models: 9
Best Energy: -8.651 kcal/mol

Binding Energies:
  • Pose 1: -8.651 kcal/mol
  • Pose 2: -8.099 kcal/mol
  • Pose 3: -7.739 kcal/mol
  • Pose 4: -7.719 kcal/mol
  • Pose 5: -7.573 kcal/mol
  • Pose 6: -7.488 kcal/mol
  • Pose 7: -7.435 kcal/mol
  • Pose 8: -7.402 kcal/mol
  • Pose 9: -7.318 kcal/mol
CHEMBL3618137_dpp4
Energy Plot
RMSD Scatter Plot