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

Docking Result

CHEMBL3984057_dpp4

Atoms: 216
Models: 9
Best Energy: -7.98 kcal/mol

Binding Energies:
  • Pose 1: -7.98 kcal/mol
  • Pose 2: -7.754 kcal/mol
  • Pose 3: -7.75 kcal/mol
  • Pose 4: -7.657 kcal/mol
  • Pose 5: -7.597 kcal/mol
  • Pose 6: -7.501 kcal/mol
  • Pose 7: -7.32 kcal/mol
  • Pose 8: -7.229 kcal/mol
  • Pose 9: -7.227 kcal/mol
CHEMBL3984057_dpp4
Energy Plot
RMSD Scatter Plot