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

Docking Result

CHEMBL3329697_dpp4

Atoms: 279
Models: 9
Best Energy: -8.739 kcal/mol

Binding Energies:
  • Pose 1: -8.739 kcal/mol
  • Pose 2: -8.104 kcal/mol
  • Pose 3: -8.104 kcal/mol
  • Pose 4: -8.074 kcal/mol
  • Pose 5: -7.731 kcal/mol
  • Pose 6: -7.607 kcal/mol
  • Pose 7: -7.573 kcal/mol
  • Pose 8: -7.443 kcal/mol
  • Pose 9: -7.381 kcal/mol
CHEMBL3329697_dpp4
Energy Plot
RMSD Scatter Plot