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

Docking Result

CHEMBL3805871_dpp4

Atoms: 306
Models: 9
Best Energy: -9.552 kcal/mol

Binding Energies:
  • Pose 1: -9.552 kcal/mol
  • Pose 2: -9.532 kcal/mol
  • Pose 3: -9.125 kcal/mol
  • Pose 4: -9.057 kcal/mol
  • Pose 5: -8.753 kcal/mol
  • Pose 6: -8.746 kcal/mol
  • Pose 7: -8.738 kcal/mol
  • Pose 8: -8.721 kcal/mol
  • Pose 9: -8.716 kcal/mol
CHEMBL3805871_dpp4
Energy Plot
RMSD Scatter Plot