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

Docking Result

CHEMBL5267534_dpp4

Atoms: 261
Models: 9
Best Energy: -8.404 kcal/mol

Binding Energies:
  • Pose 1: -8.404 kcal/mol
  • Pose 2: -8 kcal/mol
  • Pose 3: -7.81 kcal/mol
  • Pose 4: -7.651 kcal/mol
  • Pose 5: -7.618 kcal/mol
  • Pose 6: -7.58 kcal/mol
  • Pose 7: -7.579 kcal/mol
  • Pose 8: -7.563 kcal/mol
  • Pose 9: -7.515 kcal/mol
CHEMBL5267534_dpp4
Energy Plot
RMSD Scatter Plot