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

Docking Result

CHEMBL584692_dpp4

Atoms: 306
Models: 9
Best Energy: -8.485 kcal/mol

Binding Energies:
  • Pose 1: -8.485 kcal/mol
  • Pose 2: -8.442 kcal/mol
  • Pose 3: -8.386 kcal/mol
  • Pose 4: -8.377 kcal/mol
  • Pose 5: -8.267 kcal/mol
  • Pose 6: -8.208 kcal/mol
  • Pose 7: -8.149 kcal/mol
  • Pose 8: -8.112 kcal/mol
  • Pose 9: -8.085 kcal/mol
CHEMBL584692_dpp4
Energy Plot
RMSD Scatter Plot