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

Docking Result

CHEMBL4109453_dpp4

Atoms: 324
Models: 9
Best Energy: -7.874 kcal/mol

Binding Energies:
  • Pose 1: -7.874 kcal/mol
  • Pose 2: -7.768 kcal/mol
  • Pose 3: -7.736 kcal/mol
  • Pose 4: -7.683 kcal/mol
  • Pose 5: -7.593 kcal/mol
  • Pose 6: -7.506 kcal/mol
  • Pose 7: -7.486 kcal/mol
  • Pose 8: -7.433 kcal/mol
  • Pose 9: -7.347 kcal/mol
CHEMBL4109453_dpp4
Energy Plot
RMSD Scatter Plot