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

Docking Result

CHEMBL4789965_dpp4

Atoms: 297
Models: 9
Best Energy: -8.29 kcal/mol

Binding Energies:
  • Pose 1: -8.29 kcal/mol
  • Pose 2: -7.98 kcal/mol
  • Pose 3: -7.869 kcal/mol
  • Pose 4: -7.852 kcal/mol
  • Pose 5: -7.836 kcal/mol
  • Pose 6: -7.829 kcal/mol
  • Pose 7: -7.717 kcal/mol
  • Pose 8: -7.606 kcal/mol
  • Pose 9: -7.593 kcal/mol
CHEMBL4789965_dpp4
Energy Plot
RMSD Scatter Plot