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

Docking Result

CHEMBL395762_dpp4

Atoms: 378
Models: 9
Best Energy: -8.356 kcal/mol

Binding Energies:
  • Pose 1: -8.356 kcal/mol
  • Pose 2: -8.305 kcal/mol
  • Pose 3: -8.208 kcal/mol
  • Pose 4: -8.181 kcal/mol
  • Pose 5: -8.028 kcal/mol
  • Pose 6: -8.015 kcal/mol
  • Pose 7: -7.95 kcal/mol
  • Pose 8: -7.86 kcal/mol
  • Pose 9: -7.821 kcal/mol
CHEMBL395762_dpp4
Energy Plot
RMSD Scatter Plot