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

Docking Result

CHEMBL239983_dpp4

Atoms: 234
Models: 9
Best Energy: -7.074 kcal/mol

Binding Energies:
  • Pose 1: -7.074 kcal/mol
  • Pose 2: -6.906 kcal/mol
  • Pose 3: -6.851 kcal/mol
  • Pose 4: -6.531 kcal/mol
  • Pose 5: -6.474 kcal/mol
  • Pose 6: -6.296 kcal/mol
  • Pose 7: -6.262 kcal/mol
  • Pose 8: -6.233 kcal/mol
  • Pose 9: -6.162 kcal/mol
CHEMBL239983_dpp4
Energy Plot
RMSD Scatter Plot