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

Docking Result

CHEMBL377320_dpp4

Atoms: 198
Models: 9
Best Energy: -6.69 kcal/mol

Binding Energies:
  • Pose 1: -6.69 kcal/mol
  • Pose 2: -6.584 kcal/mol
  • Pose 3: -6.527 kcal/mol
  • Pose 4: -6.505 kcal/mol
  • Pose 5: -6.293 kcal/mol
  • Pose 6: -6.272 kcal/mol
  • Pose 7: -6.235 kcal/mol
  • Pose 8: -6.127 kcal/mol
  • Pose 9: -6.092 kcal/mol
CHEMBL377320_dpp4
Energy Plot
RMSD Scatter Plot