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

Docking Result

CHEMBL1683561_dpp4

Atoms: 261
Models: 9
Best Energy: -8.311 kcal/mol

Binding Energies:
  • Pose 1: -8.311 kcal/mol
  • Pose 2: -8.264 kcal/mol
  • Pose 3: -7.911 kcal/mol
  • Pose 4: -7.867 kcal/mol
  • Pose 5: -7.762 kcal/mol
  • Pose 6: -7.759 kcal/mol
  • Pose 7: -7.683 kcal/mol
  • Pose 8: -7.621 kcal/mol
  • Pose 9: -7.559 kcal/mol
CHEMBL1683561_dpp4
Energy Plot
RMSD Scatter Plot