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

Docking Result

CHEMBL318212_dpp4

Atoms: 207
Models: 9
Best Energy: -5.846 kcal/mol

Binding Energies:
  • Pose 1: -5.846 kcal/mol
  • Pose 2: -5.74 kcal/mol
  • Pose 3: -5.687 kcal/mol
  • Pose 4: -5.646 kcal/mol
  • Pose 5: -5.535 kcal/mol
  • Pose 6: -5.427 kcal/mol
  • Pose 7: -5.384 kcal/mol
  • Pose 8: -5.271 kcal/mol
  • Pose 9: -5.248 kcal/mol
CHEMBL318212_dpp4
Energy Plot
RMSD Scatter Plot