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

Docking Result

CHEMBL4796411_dpp4

Atoms: 405
Models: 9
Best Energy: -8.452 kcal/mol

Binding Energies:
  • Pose 1: -8.452 kcal/mol
  • Pose 2: -8.442 kcal/mol
  • Pose 3: -8.292 kcal/mol
  • Pose 4: -8.191 kcal/mol
  • Pose 5: -8.11 kcal/mol
  • Pose 6: -8.067 kcal/mol
  • Pose 7: -8.06 kcal/mol
  • Pose 8: -8.026 kcal/mol
  • Pose 9: -7.943 kcal/mol
CHEMBL4796411_dpp4
Energy Plot
RMSD Scatter Plot