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

Docking Result

CHEMBL207912_dpp4

Atoms: 234
Models: 9
Best Energy: -8.615 kcal/mol

Binding Energies:
  • Pose 1: -8.615 kcal/mol
  • Pose 2: -8.519 kcal/mol
  • Pose 3: -8.197 kcal/mol
  • Pose 4: -8.193 kcal/mol
  • Pose 5: -8.091 kcal/mol
  • Pose 6: -7.705 kcal/mol
  • Pose 7: -7.618 kcal/mol
  • Pose 8: -7.542 kcal/mol
  • Pose 9: -7.372 kcal/mol
CHEMBL207912_dpp4
Energy Plot
RMSD Scatter Plot