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

Docking Result

CHEMBL185067_dpp4

Atoms: 306
Models: 9
Best Energy: -7.339 kcal/mol

Binding Energies:
  • Pose 1: -7.339 kcal/mol
  • Pose 2: -7.266 kcal/mol
  • Pose 3: -7.213 kcal/mol
  • Pose 4: -7.027 kcal/mol
  • Pose 5: -7.024 kcal/mol
  • Pose 6: -6.968 kcal/mol
  • Pose 7: -6.945 kcal/mol
  • Pose 8: -6.824 kcal/mol
  • Pose 9: -6.81 kcal/mol
CHEMBL185067_dpp4
Energy Plot
RMSD Scatter Plot