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

Docking Result

CHEMBL459159_dpp4

Atoms: 126
Models: 9
Best Energy: -4.585 kcal/mol

Binding Energies:
  • Pose 1: -4.585 kcal/mol
  • Pose 2: -4.509 kcal/mol
  • Pose 3: -4.423 kcal/mol
  • Pose 4: -4.385 kcal/mol
  • Pose 5: -4.297 kcal/mol
  • Pose 6: -4.24 kcal/mol
  • Pose 7: -4.146 kcal/mol
  • Pose 8: -4.135 kcal/mol
  • Pose 9: -4.118 kcal/mol
CHEMBL459159_dpp4
Energy Plot
RMSD Scatter Plot