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

Docking Result

CHEMBL378709_dpp4

Atoms: 200
Models: 8
Best Energy: -6.596 kcal/mol

Binding Energies:
  • Pose 1: -6.596 kcal/mol
  • Pose 2: -6.452 kcal/mol
  • Pose 3: -6.314 kcal/mol
  • Pose 4: -6.257 kcal/mol
  • Pose 5: -6.223 kcal/mol
  • Pose 6: -6.184 kcal/mol
  • Pose 7: -6.128 kcal/mol
  • Pose 8: -6.116 kcal/mol
CHEMBL378709_dpp4
Energy Plot
RMSD Scatter Plot