Informations générales
Intitulé de l'offre : Postdoc in computational biochemistry M/F (H/F)
Référence : UMR7019-EMMBIG-004
Nombre de Postes : 1
Lieu de travail : VANDOEUVRE LES NANCY
Date de publication : mardi 27 mai 2025
Type de contrat : Chercheur en contrat CDD
Durée du contrat : 24 mois
Date d'embauche prévue : 15 septembre 2025
Quotité de travail : Complet
Rémunération : Between 3000€ and 4000€ gross/month according to experience
Niveau d'études souhaité : Doctorat
Expérience souhaitée : 1 à 4 années
Section(s) CN : 13 - Chimie physique, théorique et analytique
Missions
- QM/MM-MD simulations
- Enhanced sampling methods and free energy calculations
- Publication writing
- Oral and poster presentations in international congresses
- Supervision of interns
Activités
In cells, gene activity is tightly controlled by reversible chemical modifications, which are of various types and modulate gene accessibility without affecting the DNA sequence. The modification of the histone proteins, responsible for DNA compaction in the nucleus, is one of them. Understanding how these changes impact DNA compaction (from nucleosome to chromatin structures) and genome functioning is a timely area of research, yet several aspects suffer from a critical lack of data and remain elusive to experimental tools.
This postdoctoral project aims at elucidating the formation mechanisms of the S-glutathionylation modification in the nucleosome context. While it has been shown that the cysteine residue of histone H3 can be S-glutathionylated in vitro and in vivo (see García-Giménez et al Free Rad Biol Med 2021), the dynamical processes allowing the reactant to position themselves in a pre-reactive state and the reaction mechanisms behing the S-glutathinoylation process itself remain unknown. Resorting to QM/MM-MD approaches, enhanced sampling and free energy calculations, the reaction pathways leading to the formation of histone H3 glutathionylation will be unraveled.
This research will provide important insights into the mechanisms of histone modifications formation, opening invaluable perspectives for understanding DNA compaction and gene expression regulation.
Compétences
PhD diploma holder, with a background in computational chemistry/biochemistry. A strong interest for applications to biological systems and a documented experience with QM/MM(-MD) approaches are required.
Good programming skills and experience with free energy calculations and enhanced sampling would be strongly appreciated.
Contexte de travail
This postdoctoral fellowship is part of the CHROM project, funded by the Agence Nationale de la Recherche (ANR, ID ANR-24-CE29-2473).
The candidate will work at the Laboratoire de Physique et Chimie Théorique in Nancy (France).
The LPCT laboratory is committed to promoting an inclusive workplace.
Start date negotiable.