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

Docking Result

CHEMBL1650440_dpp4

Atoms: 243
Models: 9
Best Energy: -7.711 kcal/mol

Binding Energies:
  • Pose 1: -7.711 kcal/mol
  • Pose 2: -7.16 kcal/mol
  • Pose 3: -7.101 kcal/mol
  • Pose 4: -7.08 kcal/mol
  • Pose 5: -6.983 kcal/mol
  • Pose 6: -6.979 kcal/mol
  • Pose 7: -6.958 kcal/mol
  • Pose 8: -6.941 kcal/mol
  • Pose 9: -6.899 kcal/mol
CHEMBL1650440_dpp4
Energy Plot
RMSD Scatter Plot