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

Docking Result

CHEMBL263137_dpp4

Atoms: 216
Models: 9
Best Energy: -7.091 kcal/mol

Binding Energies:
  • Pose 1: -7.091 kcal/mol
  • Pose 2: -6.611 kcal/mol
  • Pose 3: -6.578 kcal/mol
  • Pose 4: -6.539 kcal/mol
  • Pose 5: -6.501 kcal/mol
  • Pose 6: -6.365 kcal/mol
  • Pose 7: -6.279 kcal/mol
  • Pose 8: -6.227 kcal/mol
  • Pose 9: -6.181 kcal/mol
CHEMBL263137_dpp4
Energy Plot
RMSD Scatter Plot