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

Docking Result

CHEMBL3644794_dpp4

Atoms: 360
Models: 9
Best Energy: -9.786 kcal/mol

Binding Energies:
  • Pose 1: -9.786 kcal/mol
  • Pose 2: -8.995 kcal/mol
  • Pose 3: -8.826 kcal/mol
  • Pose 4: -8.824 kcal/mol
  • Pose 5: -8.822 kcal/mol
  • Pose 6: -8.805 kcal/mol
  • Pose 7: -8.76 kcal/mol
  • Pose 8: -8.673 kcal/mol
  • Pose 9: -8.67 kcal/mol
CHEMBL3644794_dpp4
Energy Plot
RMSD Scatter Plot