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

Docking Result

CHEMBL3093902_dpp4

Atoms: 189
Models: 9
Best Energy: -7.382 kcal/mol

Binding Energies:
  • Pose 1: -7.382 kcal/mol
  • Pose 2: -7.322 kcal/mol
  • Pose 3: -7.205 kcal/mol
  • Pose 4: -7.11 kcal/mol
  • Pose 5: -7.04 kcal/mol
  • Pose 6: -7.029 kcal/mol
  • Pose 7: -7 kcal/mol
  • Pose 8: -6.884 kcal/mol
  • Pose 9: -6.774 kcal/mol
CHEMBL3093902_dpp4
Energy Plot
RMSD Scatter Plot