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

Docking Result

CHEMBL6164601_dpp4

Atoms: 180
Models: 9
Best Energy: -6.875 kcal/mol

Binding Energies:
  • Pose 1: -6.875 kcal/mol
  • Pose 2: -6.832 kcal/mol
  • Pose 3: -6.821 kcal/mol
  • Pose 4: -6.764 kcal/mol
  • Pose 5: -6.699 kcal/mol
  • Pose 6: -6.506 kcal/mol
  • Pose 7: -6.191 kcal/mol
  • Pose 8: -6.104 kcal/mol
  • Pose 9: -6.083 kcal/mol
CHEMBL6164601_dpp4
Energy Plot
RMSD Scatter Plot