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

Docking Result

CHEMBL440982_dpp4

Atoms: 432
Models: 9
Best Energy: -7.867 kcal/mol

Binding Energies:
  • Pose 1: -7.867 kcal/mol
  • Pose 2: -7.826 kcal/mol
  • Pose 3: -7.672 kcal/mol
  • Pose 4: -7.621 kcal/mol
  • Pose 5: -7.43 kcal/mol
  • Pose 6: -7.377 kcal/mol
  • Pose 7: -7.356 kcal/mol
  • Pose 8: -7.271 kcal/mol
  • Pose 9: -7.193 kcal/mol
CHEMBL440982_dpp4
Energy Plot
RMSD Scatter Plot