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

Docking Result

CHEMBL2011528_dpp4

Atoms: 333
Models: 9
Best Energy: -9.457 kcal/mol

Binding Energies:
  • Pose 1: -9.457 kcal/mol
  • Pose 2: -9.372 kcal/mol
  • Pose 3: -9.294 kcal/mol
  • Pose 4: -9.092 kcal/mol
  • Pose 5: -8.963 kcal/mol
  • Pose 6: -8.804 kcal/mol
  • Pose 7: -8.778 kcal/mol
  • Pose 8: -8.521 kcal/mol
  • Pose 9: -8.503 kcal/mol
CHEMBL2011528_dpp4
Energy Plot
RMSD Scatter Plot