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

Docking Result

CHEMBL4471409_dpp4

Atoms: 198
Models: 9
Best Energy: -6.311 kcal/mol

Binding Energies:
  • Pose 1: -6.311 kcal/mol
  • Pose 2: -5.832 kcal/mol
  • Pose 3: -5.796 kcal/mol
  • Pose 4: -5.782 kcal/mol
  • Pose 5: -5.76 kcal/mol
  • Pose 6: -5.691 kcal/mol
  • Pose 7: -5.599 kcal/mol
  • Pose 8: -5.575 kcal/mol
  • Pose 9: -5.508 kcal/mol
CHEMBL4471409_dpp4
Energy Plot
RMSD Scatter Plot