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

Docking Result

CHEMBL1688415_dpp4

Atoms: 225
Models: 9
Best Energy: -7.445 kcal/mol

Binding Energies:
  • Pose 1: -7.445 kcal/mol
  • Pose 2: -7.091 kcal/mol
  • Pose 3: -6.977 kcal/mol
  • Pose 4: -6.87 kcal/mol
  • Pose 5: -6.778 kcal/mol
  • Pose 6: -6.717 kcal/mol
  • Pose 7: -6.697 kcal/mol
  • Pose 8: -6.531 kcal/mol
  • Pose 9: -6.529 kcal/mol
CHEMBL1688415_dpp4
Energy Plot
RMSD Scatter Plot