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

Docking Result

CHEMBL567263_dpp4

Atoms: 270
Models: 9
Best Energy: -8.5 kcal/mol

Binding Energies:
  • Pose 1: -8.5 kcal/mol
  • Pose 2: -7.803 kcal/mol
  • Pose 3: -7.803 kcal/mol
  • Pose 4: -7.72 kcal/mol
  • Pose 5: -7.669 kcal/mol
  • Pose 6: -7.622 kcal/mol
  • Pose 7: -7.61 kcal/mol
  • Pose 8: -7.562 kcal/mol
  • Pose 9: -7.453 kcal/mol
CHEMBL567263_dpp4
Energy Plot
RMSD Scatter Plot