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

Docking Result

CHEMBL242985_dpp4

Atoms: 162
Models: 9
Best Energy: -6.194 kcal/mol

Binding Energies:
  • Pose 1: -6.194 kcal/mol
  • Pose 2: -6.17 kcal/mol
  • Pose 3: -5.998 kcal/mol
  • Pose 4: -5.966 kcal/mol
  • Pose 5: -5.937 kcal/mol
  • Pose 6: -5.815 kcal/mol
  • Pose 7: -5.786 kcal/mol
  • Pose 8: -5.777 kcal/mol
  • Pose 9: -5.775 kcal/mol
CHEMBL242985_dpp4
Energy Plot
RMSD Scatter Plot