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

Docking Result

CHEMBL93847_dpp4

Atoms: 234
Models: 9
Best Energy: -4.835 kcal/mol

Binding Energies:
  • Pose 1: -4.835 kcal/mol
  • Pose 2: -4.661 kcal/mol
  • Pose 3: -4.592 kcal/mol
  • Pose 4: -4.589 kcal/mol
  • Pose 5: -4.457 kcal/mol
  • Pose 6: -4.408 kcal/mol
  • Pose 7: -4.384 kcal/mol
  • Pose 8: -4.292 kcal/mol
  • Pose 9: -4.197 kcal/mol
CHEMBL93847_dpp4
Energy Plot
RMSD Scatter Plot