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

Docking Result

CHEMBL451937_dpp4

Atoms: 207
Models: 9
Best Energy: -7.616 kcal/mol

Binding Energies:
  • Pose 1: -7.616 kcal/mol
  • Pose 2: -7.374 kcal/mol
  • Pose 3: -7.362 kcal/mol
  • Pose 4: -7.298 kcal/mol
  • Pose 5: -7.271 kcal/mol
  • Pose 6: -7.269 kcal/mol
  • Pose 7: -7.205 kcal/mol
  • Pose 8: -7.169 kcal/mol
  • Pose 9: -7.017 kcal/mol
CHEMBL451937_dpp4
Energy Plot
RMSD Scatter Plot