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

Docking Result

CHEMBL2086612_dpp4

Atoms: 225
Models: 9
Best Energy: -7.881 kcal/mol

Binding Energies:
  • Pose 1: -7.881 kcal/mol
  • Pose 2: -7.821 kcal/mol
  • Pose 3: -7.783 kcal/mol
  • Pose 4: -7.651 kcal/mol
  • Pose 5: -7.615 kcal/mol
  • Pose 6: -7.542 kcal/mol
  • Pose 7: -7.324 kcal/mol
  • Pose 8: -7.289 kcal/mol
  • Pose 9: -7.259 kcal/mol
CHEMBL2086612_dpp4
Energy Plot
RMSD Scatter Plot