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

Docking Result

CHEMBL3093901_dpp4

Atoms: 216
Models: 9
Best Energy: -8.264 kcal/mol

Binding Energies:
  • Pose 1: -8.264 kcal/mol
  • Pose 2: -7.545 kcal/mol
  • Pose 3: -7.471 kcal/mol
  • Pose 4: -7.397 kcal/mol
  • Pose 5: -7.376 kcal/mol
  • Pose 6: -7.361 kcal/mol
  • Pose 7: -7.298 kcal/mol
  • Pose 8: -7.297 kcal/mol
  • Pose 9: -7.252 kcal/mol
CHEMBL3093901_dpp4
Energy Plot
RMSD Scatter Plot