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

Docking Result

CHEMBL210353_dpp4

Atoms: 216
Models: 9
Best Energy: -7.546 kcal/mol

Binding Energies:
  • Pose 1: -7.546 kcal/mol
  • Pose 2: -7.29 kcal/mol
  • Pose 3: -7.264 kcal/mol
  • Pose 4: -6.977 kcal/mol
  • Pose 5: -6.878 kcal/mol
  • Pose 6: -6.849 kcal/mol
  • Pose 7: -6.834 kcal/mol
  • Pose 8: -6.811 kcal/mol
  • Pose 9: -6.593 kcal/mol
CHEMBL210353_dpp4
Energy Plot
RMSD Scatter Plot