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

Docking Result

CHEMBL3310986_dpp4

Atoms: 261
Models: 9
Best Energy: -7.648 kcal/mol

Binding Energies:
  • Pose 1: -7.648 kcal/mol
  • Pose 2: -7.617 kcal/mol
  • Pose 3: -7.384 kcal/mol
  • Pose 4: -7.324 kcal/mol
  • Pose 5: -7.276 kcal/mol
  • Pose 6: -7.263 kcal/mol
  • Pose 7: -7.203 kcal/mol
  • Pose 8: -7.136 kcal/mol
  • Pose 9: -6.886 kcal/mol
CHEMBL3310986_dpp4
Energy Plot
RMSD Scatter Plot