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

Docking Result

CHEMBL2385301_dpp4

Atoms: 225
Models: 9
Best Energy: -8.35 kcal/mol

Binding Energies:
  • Pose 1: -8.35 kcal/mol
  • Pose 2: -7.986 kcal/mol
  • Pose 3: -7.928 kcal/mol
  • Pose 4: -7.677 kcal/mol
  • Pose 5: -7.659 kcal/mol
  • Pose 6: -7.604 kcal/mol
  • Pose 7: -7.522 kcal/mol
  • Pose 8: -7.479 kcal/mol
  • Pose 9: -7.34 kcal/mol
CHEMBL2385301_dpp4
Energy Plot
RMSD Scatter Plot