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

Docking Result

CHEMBL6168838_dpp4

Atoms: 306
Models: 9
Best Energy: -7.726 kcal/mol

Binding Energies:
  • Pose 1: -7.726 kcal/mol
  • Pose 2: -7.604 kcal/mol
  • Pose 3: -7.598 kcal/mol
  • Pose 4: -7.467 kcal/mol
  • Pose 5: -7.404 kcal/mol
  • Pose 6: -7.172 kcal/mol
  • Pose 7: -7.16 kcal/mol
  • Pose 8: -7.092 kcal/mol
  • Pose 9: -7.084 kcal/mol
CHEMBL6168838_dpp4
Energy Plot
RMSD Scatter Plot