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

Docking Result

CHEMBL2206470_dpp4

Atoms: 333
Models: 9
Best Energy: -8.3 kcal/mol

Binding Energies:
  • Pose 1: -8.3 kcal/mol
  • Pose 2: -8.119 kcal/mol
  • Pose 3: -8.096 kcal/mol
  • Pose 4: -8.077 kcal/mol
  • Pose 5: -7.984 kcal/mol
  • Pose 6: -7.924 kcal/mol
  • Pose 7: -7.768 kcal/mol
  • Pose 8: -7.61 kcal/mol
  • Pose 9: -7.509 kcal/mol
CHEMBL2206470_dpp4
Energy Plot
RMSD Scatter Plot