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

Docking Result

CHEMBL238190_dpp4

Atoms: 288
Models: 9
Best Energy: -8.057 kcal/mol

Binding Energies:
  • Pose 1: -8.057 kcal/mol
  • Pose 2: -7.919 kcal/mol
  • Pose 3: -7.675 kcal/mol
  • Pose 4: -7.571 kcal/mol
  • Pose 5: -7.498 kcal/mol
  • Pose 6: -7.294 kcal/mol
  • Pose 7: -7.278 kcal/mol
  • Pose 8: -7.209 kcal/mol
  • Pose 9: -7.164 kcal/mol
CHEMBL238190_dpp4
Energy Plot
RMSD Scatter Plot