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

Docking Result

CHEMBL591117_dpp4

Atoms: 261
Models: 9
Best Energy: -6.798 kcal/mol

Binding Energies:
  • Pose 1: -6.798 kcal/mol
  • Pose 2: -6.788 kcal/mol
  • Pose 3: -6.731 kcal/mol
  • Pose 4: -6.698 kcal/mol
  • Pose 5: -6.692 kcal/mol
  • Pose 6: -6.551 kcal/mol
  • Pose 7: -6.524 kcal/mol
  • Pose 8: -6.471 kcal/mol
  • Pose 9: -6.468 kcal/mol
CHEMBL591117_dpp4
Energy Plot
RMSD Scatter Plot