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

Docking Result

CHEMBL23891_dpp4

Atoms: 270
Models: 9
Best Energy: -7.432 kcal/mol

Binding Energies:
  • Pose 1: -7.432 kcal/mol
  • Pose 2: -7.419 kcal/mol
  • Pose 3: -7.384 kcal/mol
  • Pose 4: -7.304 kcal/mol
  • Pose 5: -7.299 kcal/mol
  • Pose 6: -7.253 kcal/mol
  • Pose 7: -7.217 kcal/mol
  • Pose 8: -7.077 kcal/mol
  • Pose 9: -7.071 kcal/mol
CHEMBL23891_dpp4
Energy Plot
RMSD Scatter Plot