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

Docking Result

CHEMBL469678_dpp4

Atoms: 207
Models: 9
Best Energy: -7.509 kcal/mol

Binding Energies:
  • Pose 1: -7.509 kcal/mol
  • Pose 2: -7.309 kcal/mol
  • Pose 3: -7.008 kcal/mol
  • Pose 4: -6.846 kcal/mol
  • Pose 5: -6.773 kcal/mol
  • Pose 6: -6.71 kcal/mol
  • Pose 7: -6.709 kcal/mol
  • Pose 8: -6.7 kcal/mol
  • Pose 9: -6.48 kcal/mol
CHEMBL469678_dpp4
Energy Plot
RMSD Scatter Plot