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

Docking Result

CHEMBL590330_dpp4

Atoms: 243
Models: 9
Best Energy: -7.424 kcal/mol

Binding Energies:
  • Pose 1: -7.424 kcal/mol
  • Pose 2: -6.896 kcal/mol
  • Pose 3: -6.803 kcal/mol
  • Pose 4: -6.755 kcal/mol
  • Pose 5: -6.74 kcal/mol
  • Pose 6: -6.704 kcal/mol
  • Pose 7: -6.612 kcal/mol
  • Pose 8: -6.509 kcal/mol
  • Pose 9: -6.496 kcal/mol
CHEMBL590330_dpp4
Energy Plot
RMSD Scatter Plot