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

Docking Result

CHEMBL400911_dpp4

Atoms: 279
Models: 9
Best Energy: -7.688 kcal/mol

Binding Energies:
  • Pose 1: -7.688 kcal/mol
  • Pose 2: -7.676 kcal/mol
  • Pose 3: -7.583 kcal/mol
  • Pose 4: -7.551 kcal/mol
  • Pose 5: -7.291 kcal/mol
  • Pose 6: -7.105 kcal/mol
  • Pose 7: -6.987 kcal/mol
  • Pose 8: -6.93 kcal/mol
  • Pose 9: -6.823 kcal/mol
CHEMBL400911_dpp4
Energy Plot
RMSD Scatter Plot