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

Docking Result

CHEMBL3084815_dpp4

Atoms: 252
Models: 9
Best Energy: -7.553 kcal/mol

Binding Energies:
  • Pose 1: -7.553 kcal/mol
  • Pose 2: -7.51 kcal/mol
  • Pose 3: -7.474 kcal/mol
  • Pose 4: -7.434 kcal/mol
  • Pose 5: -7.423 kcal/mol
  • Pose 6: -7.352 kcal/mol
  • Pose 7: -7.218 kcal/mol
  • Pose 8: -7.21 kcal/mol
  • Pose 9: -7.171 kcal/mol
CHEMBL3084815_dpp4
Energy Plot
RMSD Scatter Plot