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

Docking Result

CHEMBL4878759_dpp4

Atoms: 324
Models: 9
Best Energy: -7.822 kcal/mol

Binding Energies:
  • Pose 1: -7.822 kcal/mol
  • Pose 2: -7.496 kcal/mol
  • Pose 3: -7.132 kcal/mol
  • Pose 4: -7.113 kcal/mol
  • Pose 5: -7.088 kcal/mol
  • Pose 6: -7.052 kcal/mol
  • Pose 7: -6.962 kcal/mol
  • Pose 8: -6.927 kcal/mol
  • Pose 9: -6.875 kcal/mol
CHEMBL4878759_dpp4
Energy Plot
RMSD Scatter Plot