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

Docking Result

CHEMBL4762199_dpp4

Atoms: 405
Models: 9
Best Energy: -8.495 kcal/mol

Binding Energies:
  • Pose 1: -8.495 kcal/mol
  • Pose 2: -8.414 kcal/mol
  • Pose 3: -8.326 kcal/mol
  • Pose 4: -8.28 kcal/mol
  • Pose 5: -8.172 kcal/mol
  • Pose 6: -8.153 kcal/mol
  • Pose 7: -8.106 kcal/mol
  • Pose 8: -8.078 kcal/mol
  • Pose 9: -8.05 kcal/mol
CHEMBL4762199_dpp4
Energy Plot
RMSD Scatter Plot