Plateforme Intégrée de Biophysique et de Biologie Structurale


Molecular Modelling


Infer protein fold from homologous 3D templates or from ab initio simulations

Different predictive protocoles can be combined depending on the results obtained after each analysis step :

  • sequence - structure threading
  • active site prediction
  • full atom model inference
  • putative ligand prediction
  • model assessment and refinement

The different analysis step will be obtained using the @TOME v3.0 server (

@TOME is a web pipeline dedicated to protein structure modeling and small ligand docking based on comparative analyses. It allows fold recognition, template selection, structural alignment editing, structure comparisons, 3D-model building and evaluation.

  • If the 3D templates are close to the query sequence (>25% sequence identity), homology modelling can be automatically obtained using the @TOME server.
  • If the closest 3D templates are poorly homologous (15-25% sequence identity), contact us to determine the best modelling strategy.