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

Docking Result

CHEMBL563849_dpp4

Atoms: 288
Models: 9
Best Energy: -8.693 kcal/mol

Binding Energies:
  • Pose 1: -8.693 kcal/mol
  • Pose 2: -8.519 kcal/mol
  • Pose 3: -8.181 kcal/mol
  • Pose 4: -8.081 kcal/mol
  • Pose 5: -8.001 kcal/mol
  • Pose 6: -7.838 kcal/mol
  • Pose 7: -7.612 kcal/mol
  • Pose 8: -7.487 kcal/mol
  • Pose 9: -7.456 kcal/mol
CHEMBL563849_dpp4
Energy Plot
RMSD Scatter Plot