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

Docking Result

CHEMBL230387_dpp4

Atoms: 270
Models: 9
Best Energy: -5.946 kcal/mol

Binding Energies:
  • Pose 1: -5.946 kcal/mol
  • Pose 2: -5.859 kcal/mol
  • Pose 3: -5.777 kcal/mol
  • Pose 4: -5.758 kcal/mol
  • Pose 5: -5.713 kcal/mol
  • Pose 6: -5.703 kcal/mol
  • Pose 7: -5.675 kcal/mol
  • Pose 8: -5.635 kcal/mol
  • Pose 9: -5.34 kcal/mol
CHEMBL230387_dpp4
Energy Plot
RMSD Scatter Plot