Postdoc in computational biochemistry M/F

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Postdoc in computational biochemistry M/F

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Job description

Offer Description– QM/MM-MD simulations
– Enhanced sampling methods and free energy calculations
– Publication writing
– Oral and poster presentations in international congresses
– Supervision of internsIn 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.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.Where to apply WebsiteRequirementsResearch Field Chemistry Education Level PhD or equivalentResearch Field Chemistry Education Level PhD or equivalentLanguages FRENCH Level BasicResearch Field Chemistry » Physical chemistry Years of Research Experience NoneResearch Field Chemistry » Computational chemistry Years of Research Experience NoneAdditional InformationEligibility criteriaPhD 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.Website for additional job detailsWork Location(s)Number of offers available 1 Company/Institute Laboratoire de Physique et Chimie Théoriques Country France City VANDOEUVRE LES NANCY GeofieldContact CityVANDOEUVRE LES NANCYSTATUS: EXPIREDShare this page

Expected salary

Location

Vandoeuvre-lès-Nancy, Meurthe-et-Moselle

Job date

Thu, 26 Dec 2024 05:20:55 GMT

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