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

Docking Result

CHEMBL183207_dpp4

Atoms: 405
Models: 9
Best Energy: -8.877 kcal/mol

Binding Energies:
  • Pose 1: -8.877 kcal/mol
  • Pose 2: -8.83 kcal/mol
  • Pose 3: -8.737 kcal/mol
  • Pose 4: -8.674 kcal/mol
  • Pose 5: -8.634 kcal/mol
  • Pose 6: -8.634 kcal/mol
  • Pose 7: -8.59 kcal/mol
  • Pose 8: -8.57 kcal/mol
  • Pose 9: -8.555 kcal/mol
CHEMBL183207_dpp4
Energy Plot
RMSD Scatter Plot