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

Docking Result

CHEMBL6133644_dpp4

Atoms: 342
Models: 9
Best Energy: -9.578 kcal/mol

Binding Energies:
  • Pose 1: -9.578 kcal/mol
  • Pose 2: -9.573 kcal/mol
  • Pose 3: -9.572 kcal/mol
  • Pose 4: -9.539 kcal/mol
  • Pose 5: -9.482 kcal/mol
  • Pose 6: -9.459 kcal/mol
  • Pose 7: -9.355 kcal/mol
  • Pose 8: -9.223 kcal/mol
  • Pose 9: -8.509 kcal/mol
CHEMBL6133644_dpp4
Energy Plot
RMSD Scatter Plot