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

Docking Result

CHEMBL3896942_dpp4

Atoms: 216
Models: 9
Best Energy: -7.905 kcal/mol

Binding Energies:
  • Pose 1: -7.905 kcal/mol
  • Pose 2: -7.815 kcal/mol
  • Pose 3: -7.671 kcal/mol
  • Pose 4: -7.523 kcal/mol
  • Pose 5: -7.404 kcal/mol
  • Pose 6: -7.373 kcal/mol
  • Pose 7: -7.34 kcal/mol
  • Pose 8: -7.327 kcal/mol
  • Pose 9: -7.204 kcal/mol
CHEMBL3896942_dpp4
Energy Plot
RMSD Scatter Plot