Projet de bioinformatique structurale

Analysis of the protein O00476.

Models Generation

  • Secondary structure prediction (Jpred, PSIPRED, CONCORD)
  • Detection of transmembrane segments (TOPCONS, Phobius)
  • Homolog proteins search for template structures (PSI-BLAST, PSI-SEARCH)
  • Finding of inward-open & outward-open templates
  • Single-Template homology modelling (Swiss-model, Memoir for transmembrane protein)
  • Multiple-Templates homology modelling (MODELER)
  • Embedding model in a membrane (PPM server, iMembrane)
  • Model refinement, especially loops and side-chains refinement (ModRefiner, SuperLooper, FalcLoop, Galaxy Refine, Scwrl4, SidePro, Rasp)
  • Evaluation of the model (ProQ, Procheck)

Conformations study

  • Normal modes analysis (NOMAD, WebNMA)
  • MD coarse grain (OpenMM, Gromacs, with Martini force field)

Ligand study

  • Docking (AutoDock ?)