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

Docking Result

CHEMBL2408646_dpp4

Atoms: 297
Models: 9
Best Energy: -8.455 kcal/mol

Binding Energies:
  • Pose 1: -8.455 kcal/mol
  • Pose 2: -8.434 kcal/mol
  • Pose 3: -8.294 kcal/mol
  • Pose 4: -8.088 kcal/mol
  • Pose 5: -8.055 kcal/mol
  • Pose 6: -7.965 kcal/mol
  • Pose 7: -7.951 kcal/mol
  • Pose 8: -7.694 kcal/mol
  • Pose 9: -7.67 kcal/mol
CHEMBL2408646_dpp4
Energy Plot
RMSD Scatter Plot