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

Docking Result

CHEMBL232191_dpp4

Atoms: 279
Models: 9
Best Energy: -8.233 kcal/mol

Binding Energies:
  • Pose 1: -8.233 kcal/mol
  • Pose 2: -8.199 kcal/mol
  • Pose 3: -8.105 kcal/mol
  • Pose 4: -8.054 kcal/mol
  • Pose 5: -8.004 kcal/mol
  • Pose 6: -7.969 kcal/mol
  • Pose 7: -7.962 kcal/mol
  • Pose 8: -7.801 kcal/mol
  • Pose 9: -7.674 kcal/mol
CHEMBL232191_dpp4
Energy Plot
RMSD Scatter Plot