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

Docking Result

CHEMBL3644458_dpp4

Atoms: 261
Models: 9
Best Energy: -8.174 kcal/mol

Binding Energies:
  • Pose 1: -8.174 kcal/mol
  • Pose 2: -8.137 kcal/mol
  • Pose 3: -7.726 kcal/mol
  • Pose 4: -7.575 kcal/mol
  • Pose 5: -7.493 kcal/mol
  • Pose 6: -7.401 kcal/mol
  • Pose 7: -7.374 kcal/mol
  • Pose 8: -7.301 kcal/mol
  • Pose 9: -7.283 kcal/mol
CHEMBL3644458_dpp4
Energy Plot
RMSD Scatter Plot