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

Docking Result

CHEMBL5791601_dpp4

Atoms: 243
Models: 9
Best Energy: -7.68 kcal/mol

Binding Energies:
  • Pose 1: -7.68 kcal/mol
  • Pose 2: -7.658 kcal/mol
  • Pose 3: -7.579 kcal/mol
  • Pose 4: -7.563 kcal/mol
  • Pose 5: -7.537 kcal/mol
  • Pose 6: -7.451 kcal/mol
  • Pose 7: -7.311 kcal/mol
  • Pose 8: -7.265 kcal/mol
  • Pose 9: -7.261 kcal/mol
CHEMBL5791601_dpp4
Energy Plot
RMSD Scatter Plot