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

Docking Result

CHEMBL2408655_dpp4

Atoms: 315
Models: 9
Best Energy: -8.29 kcal/mol

Binding Energies:
  • Pose 1: -8.29 kcal/mol
  • Pose 2: -7.993 kcal/mol
  • Pose 3: -7.929 kcal/mol
  • Pose 4: -7.807 kcal/mol
  • Pose 5: -7.503 kcal/mol
  • Pose 6: -7.418 kcal/mol
  • Pose 7: -7.306 kcal/mol
  • Pose 8: -7.238 kcal/mol
  • Pose 9: -7.127 kcal/mol
CHEMBL2408655_dpp4
Energy Plot
RMSD Scatter Plot