Computational Algorithms for Protein Structures and Interactions

Département 5 : Systèmes complexes, intelligence artificielle et robotique

Responsable de l’équipe : Marie-Dominique Devignes
Tél : + 33 3 83 59 20 65
Mail : marie-dominique.devignes (at)

Site de l’équipe


The Capsid team develops algorithms and software to help study biological systems and phenomena from a structural point of view. In particular, the team aims to develop algorithms which can facilitate and improve the 3D modeling of large multi-component bio-molecular machines. While the team’s principal activity is algorithm and software development, it also tackles “real-world” biological problems through collaborations with the University of Lorraine and Nancy Hospital, and with other research teams from Inria, INRA, INSERM, and CNRS and international universities. The team is a research node of the Institut Français de Bioinformatique.

Axes thématiques

  • Computational modeling of protein-protein interactions (protein docking and molecular dynamics simulations)
  • Classifying and mining protein structures and protein-protein interactions (knowledge discovery in biological databases)


  • Hex
  • Sam
  • Kpax
  • EC-DomainMiner
  • gEMFitter
  • gEMpicker
  • Parafit


  • CHRU Nancy (France)
  • ENSAIA / INRA (France)
  • Institut de Génetique et de Biologie Moléculaire et Cellulaire (France)
  • Collège de France (France)
  • University of Boston (USA)
  • Stony Brook University (USA)


Structural bioinformatics; protein docking; protein-protein interactions; biological data mining; molecular dynamics; virtual drug screening