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

Docking Result

CHEMBL430057_dpp4

Atoms: 198
Models: 9
Best Energy: -6.546 kcal/mol

Binding Energies:
  • Pose 1: -6.546 kcal/mol
  • Pose 2: -6.494 kcal/mol
  • Pose 3: -6.469 kcal/mol
  • Pose 4: -6.464 kcal/mol
  • Pose 5: -6.428 kcal/mol
  • Pose 6: -6.426 kcal/mol
  • Pose 7: -6.316 kcal/mol
  • Pose 8: -6.165 kcal/mol
  • Pose 9: -6.144 kcal/mol
CHEMBL430057_dpp4
Energy Plot
RMSD Scatter Plot