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

Docking Result

CHEMBL1236897_dpp4

Atoms: 171
Models: 9
Best Energy: -4.912 kcal/mol

Binding Energies:
  • Pose 1: -4.912 kcal/mol
  • Pose 2: -4.898 kcal/mol
  • Pose 3: -4.752 kcal/mol
  • Pose 4: -4.751 kcal/mol
  • Pose 5: -4.747 kcal/mol
  • Pose 6: -4.59 kcal/mol
  • Pose 7: -4.484 kcal/mol
  • Pose 8: -4.457 kcal/mol
  • Pose 9: -4.419 kcal/mol
CHEMBL1236897_dpp4
Energy Plot
RMSD Scatter Plot