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

Docking Result

CHEMBL96453_dpp4

Atoms: 171
Models: 9
Best Energy: -6.919 kcal/mol

Binding Energies:
  • Pose 1: -6.919 kcal/mol
  • Pose 2: -6.844 kcal/mol
  • Pose 3: -6.842 kcal/mol
  • Pose 4: -6.834 kcal/mol
  • Pose 5: -6.618 kcal/mol
  • Pose 6: -6.607 kcal/mol
  • Pose 7: -6.465 kcal/mol
  • Pose 8: -6.462 kcal/mol
  • Pose 9: -6.445 kcal/mol
CHEMBL96453_dpp4
Energy Plot
RMSD Scatter Plot