Investigation of bound and unbound phosphoserine phosphatase conformations through Elastic Network Models and Molecular Dynamics simulations

Résultats de recherche

• Actif

  Multiresolution topological and non-covalent interaction analyses of electron density maps

  Leherte, L. (Responsable du Projet)

  1/03/20 → …

  Projet: Recherche

  • Non-Covalent Interactions 100%
  • Electron Density 100%
  • Multi-resolution 50%
  • Noncovalent Interactions 50%
  • Electron Density Map 50%
• Terminé

  CÉCI – Consortium des Équipements de Calcul Intensif

  CHAMPAGNE, B. (Responsable du Projet), Lazzaroni, R. (Responsable du Projet), Geuzaine , C. (Co-investigateur), Chatelain, P. (Co-investigateur) & Knaepen, B. (Co-investigateur)

  1/01/18 → 31/12/22

  Projet: Recherche

  • nonlinear problems 100%
  • investigations 67%
  • Density Functional Theory 61%
  • density functional method 61%
  • optical properties 54%

• Structural and inhibition study of SerB2 (Mycobacterium tuberculosis phosphoserine phosphatase)

  Haufroid, M. (Chercheur) & Wouters, J. (Promoteur)

  1/09/16 → 31/08/22

  Projet: Projet de thèse

  • phosphatases 100%
  • enzymes 62%
  • serine 62%
  • humans 50%
  • mycobacterium tuberculosis 50%