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

Docking Result

CHEMBL5964362_dpp4

Atoms: 459
Models: 9
Best Energy: -9.883 kcal/mol

Binding Energies:
  • Pose 1: -9.883 kcal/mol
  • Pose 2: -9.864 kcal/mol
  • Pose 3: -9.832 kcal/mol
  • Pose 4: -9.475 kcal/mol
  • Pose 5: -9.462 kcal/mol
  • Pose 6: -9.389 kcal/mol
  • Pose 7: -9.341 kcal/mol
  • Pose 8: -9.324 kcal/mol
  • Pose 9: -9.195 kcal/mol
CHEMBL5964362_dpp4
Energy Plot
RMSD Scatter Plot