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

Docking Result

CHEMBL3645490_dpp4

Atoms: 261
Models: 9
Best Energy: -8.086 kcal/mol

Binding Energies:
  • Pose 1: -8.086 kcal/mol
  • Pose 2: -7.677 kcal/mol
  • Pose 3: -7.492 kcal/mol
  • Pose 4: -7.433 kcal/mol
  • Pose 5: -7.366 kcal/mol
  • Pose 6: -7.322 kcal/mol
  • Pose 7: -7.288 kcal/mol
  • Pose 8: -7.069 kcal/mol
  • Pose 9: -7.038 kcal/mol
CHEMBL3645490_dpp4
Energy Plot
RMSD Scatter Plot