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

Docking Result

CHEMBL509672_dpp4

Atoms: 192
Models: 8
Best Energy: -7.824 kcal/mol

Binding Energies:
  • Pose 1: -7.824 kcal/mol
  • Pose 2: -7.796 kcal/mol
  • Pose 3: -7.526 kcal/mol
  • Pose 4: -7.417 kcal/mol
  • Pose 5: -7.208 kcal/mol
  • Pose 6: -7.124 kcal/mol
  • Pose 7: -7.039 kcal/mol
  • Pose 8: -6.888 kcal/mol
CHEMBL509672_dpp4
Energy Plot
RMSD Scatter Plot