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

Docking Result

CHEMBL223915_dpp4

Atoms: 198
Models: 9
Best Energy: -6.541 kcal/mol

Binding Energies:
  • Pose 1: -6.541 kcal/mol
  • Pose 2: -6.473 kcal/mol
  • Pose 3: -6.242 kcal/mol
  • Pose 4: -6.098 kcal/mol
  • Pose 5: -6.043 kcal/mol
  • Pose 6: -5.935 kcal/mol
  • Pose 7: -5.811 kcal/mol
  • Pose 8: -5.802 kcal/mol
  • Pose 9: -5.757 kcal/mol
CHEMBL223915_dpp4
Energy Plot
RMSD Scatter Plot