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

Docking Result

CHEMBL1951416_dpp4

Atoms: 369
Models: 9
Best Energy: -7.103 kcal/mol

Binding Energies:
  • Pose 1: -7.103 kcal/mol
  • Pose 2: -6.818 kcal/mol
  • Pose 3: -6.775 kcal/mol
  • Pose 4: -6.664 kcal/mol
  • Pose 5: -6.639 kcal/mol
  • Pose 6: -6.578 kcal/mol
  • Pose 7: -6.54 kcal/mol
  • Pose 8: -6.474 kcal/mol
  • Pose 9: -6.367 kcal/mol
CHEMBL1951416_dpp4
Energy Plot
RMSD Scatter Plot