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

Docking Result

CHEMBL96491_dpp4

Atoms: 162
Models: 9
Best Energy: -5.992 kcal/mol

Binding Energies:
  • Pose 1: -5.992 kcal/mol
  • Pose 2: -5.574 kcal/mol
  • Pose 3: -5.384 kcal/mol
  • Pose 4: -5.357 kcal/mol
  • Pose 5: -5.177 kcal/mol
  • Pose 6: -5.157 kcal/mol
  • Pose 7: -5.112 kcal/mol
  • Pose 8: -5.074 kcal/mol
  • Pose 9: -5.04 kcal/mol
CHEMBL96491_dpp4
Energy Plot
RMSD Scatter Plot