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

Docking Result

CHEMBL329171_dpp4

Atoms: 162
Models: 9
Best Energy: -5.325 kcal/mol

Binding Energies:
  • Pose 1: -5.325 kcal/mol
  • Pose 2: -5.312 kcal/mol
  • Pose 3: -5.271 kcal/mol
  • Pose 4: -5.229 kcal/mol
  • Pose 5: -5.022 kcal/mol
  • Pose 6: -4.977 kcal/mol
  • Pose 7: -4.965 kcal/mol
  • Pose 8: -4.951 kcal/mol
  • Pose 9: -4.864 kcal/mol
CHEMBL329171_dpp4
Energy Plot
RMSD Scatter Plot