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

Docking Result

CHEMBL403969_dpp4

Atoms: 234
Models: 9
Best Energy: -7.418 kcal/mol

Binding Energies:
  • Pose 1: -7.418 kcal/mol
  • Pose 2: -7.148 kcal/mol
  • Pose 3: -7.096 kcal/mol
  • Pose 4: -7.022 kcal/mol
  • Pose 5: -6.908 kcal/mol
  • Pose 6: -6.883 kcal/mol
  • Pose 7: -6.756 kcal/mol
  • Pose 8: -6.731 kcal/mol
  • Pose 9: -6.64 kcal/mol
CHEMBL403969_dpp4
Energy Plot
RMSD Scatter Plot