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

Docking Result

CHEMBL454193_dpp4

Atoms: 225
Models: 9
Best Energy: -7.821 kcal/mol

Binding Energies:
  • Pose 1: -7.821 kcal/mol
  • Pose 2: -7.646 kcal/mol
  • Pose 3: -7.511 kcal/mol
  • Pose 4: -7.47 kcal/mol
  • Pose 5: -7.436 kcal/mol
  • Pose 6: -7.374 kcal/mol
  • Pose 7: -7.227 kcal/mol
  • Pose 8: -7.219 kcal/mol
  • Pose 9: -7.077 kcal/mol
CHEMBL454193_dpp4
Energy Plot
RMSD Scatter Plot