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

Docking Result

CHEMBL4111229_dpp4

Atoms: 315
Models: 9
Best Energy: -8.024 kcal/mol

Binding Energies:
  • Pose 1: -8.024 kcal/mol
  • Pose 2: -7.793 kcal/mol
  • Pose 3: -7.736 kcal/mol
  • Pose 4: -7.621 kcal/mol
  • Pose 5: -7.602 kcal/mol
  • Pose 6: -7.592 kcal/mol
  • Pose 7: -7.509 kcal/mol
  • Pose 8: -7.43 kcal/mol
  • Pose 9: -7.415 kcal/mol
CHEMBL4111229_dpp4
Energy Plot
RMSD Scatter Plot