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

Docking Result

CHEMBL567279_dpp4

Atoms: 306
Models: 9
Best Energy: -8.687 kcal/mol

Binding Energies:
  • Pose 1: -8.687 kcal/mol
  • Pose 2: -8.656 kcal/mol
  • Pose 3: -8.503 kcal/mol
  • Pose 4: -8.5 kcal/mol
  • Pose 5: -8.385 kcal/mol
  • Pose 6: -8.375 kcal/mol
  • Pose 7: -8.165 kcal/mol
  • Pose 8: -8.066 kcal/mol
  • Pose 9: -8.017 kcal/mol
CHEMBL567279_dpp4
Energy Plot
RMSD Scatter Plot