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

Docking Result

CHEMBL2147192_dpp4

Atoms: 297
Models: 9
Best Energy: -8.469 kcal/mol

Binding Energies:
  • Pose 1: -8.469 kcal/mol
  • Pose 2: -8.387 kcal/mol
  • Pose 3: -7.835 kcal/mol
  • Pose 4: -7.742 kcal/mol
  • Pose 5: -7.688 kcal/mol
  • Pose 6: -7.68 kcal/mol
  • Pose 7: -7.64 kcal/mol
  • Pose 8: -7.589 kcal/mol
  • Pose 9: -7.507 kcal/mol
CHEMBL2147192_dpp4
Energy Plot
RMSD Scatter Plot