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

Docking Result

CHEMBL1230015_dpp4

Atoms: 315
Models: 9
Best Energy: -8.397 kcal/mol

Binding Energies:
  • Pose 1: -8.397 kcal/mol
  • Pose 2: -8.05 kcal/mol
  • Pose 3: -7.829 kcal/mol
  • Pose 4: -7.813 kcal/mol
  • Pose 5: -7.767 kcal/mol
  • Pose 6: -7.417 kcal/mol
  • Pose 7: -7.405 kcal/mol
  • Pose 8: -7.363 kcal/mol
  • Pose 9: -7.311 kcal/mol
CHEMBL1230015_dpp4
Energy Plot
RMSD Scatter Plot