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

Docking Result

CHEMBL4242321_dpp4

Atoms: 198
Models: 9
Best Energy: -7.238 kcal/mol

Binding Energies:
  • Pose 1: -7.238 kcal/mol
  • Pose 2: -7.032 kcal/mol
  • Pose 3: -7.016 kcal/mol
  • Pose 4: -6.572 kcal/mol
  • Pose 5: -6.468 kcal/mol
  • Pose 6: -6.459 kcal/mol
  • Pose 7: -6.443 kcal/mol
  • Pose 8: -6.268 kcal/mol
  • Pose 9: -6.224 kcal/mol
CHEMBL4242321_dpp4
Energy Plot
RMSD Scatter Plot