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

Docking Result

CHEMBL1976036_dpp4

Atoms: 234
Models: 9
Best Energy: -9.14 kcal/mol

Binding Energies:
  • Pose 1: -9.14 kcal/mol
  • Pose 2: -8.848 kcal/mol
  • Pose 3: -8.718 kcal/mol
  • Pose 4: -8.677 kcal/mol
  • Pose 5: -8.598 kcal/mol
  • Pose 6: -8.574 kcal/mol
  • Pose 7: -8.53 kcal/mol
  • Pose 8: -8.432 kcal/mol
  • Pose 9: -8.279 kcal/mol
CHEMBL1976036_dpp4
Energy Plot
RMSD Scatter Plot