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

Docking Result

CHEMBL3084945_dpp4

Atoms: 180
Models: 9
Best Energy: -5.99 kcal/mol

Binding Energies:
  • Pose 1: -5.99 kcal/mol
  • Pose 2: -5.944 kcal/mol
  • Pose 3: -5.702 kcal/mol
  • Pose 4: -5.659 kcal/mol
  • Pose 5: -5.645 kcal/mol
  • Pose 6: -5.603 kcal/mol
  • Pose 7: -5.585 kcal/mol
  • Pose 8: -5.563 kcal/mol
  • Pose 9: -5.554 kcal/mol
CHEMBL3084945_dpp4
Energy Plot
RMSD Scatter Plot