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

Docking Result

CHEMBL270163_dpp4

Atoms: 270
Models: 9
Best Energy: -8.497 kcal/mol

Binding Energies:
  • Pose 1: -8.497 kcal/mol
  • Pose 2: -8.323 kcal/mol
  • Pose 3: -8.258 kcal/mol
  • Pose 4: -8.164 kcal/mol
  • Pose 5: -8.126 kcal/mol
  • Pose 6: -7.821 kcal/mol
  • Pose 7: -7.737 kcal/mol
  • Pose 8: -7.668 kcal/mol
  • Pose 9: -7.61 kcal/mol
CHEMBL270163_dpp4
Energy Plot
RMSD Scatter Plot