M/F : Postdoctoral Researcher in Molecular Modeling – Industrial collaboration

CNRS; France; Sur place; EUR 30 000 - 45 000; Plein temps

Résumé du poste

A prominent research organization in France is seeking a postdoctoral researcher to study enzymatic biodegradation of rubber materials. Responsibilities include characterizing enzyme interactions, conducting molecular modeling studies, and developing protocols for enzyme reactivity. Candidates should have a Ph.D. in chemistry or a related field, as well as expertise in molecular dynamics and QM/MM methods. Join a dynamic research environment focused on environmental sustainability.

Qualifications

• Proven experience in molecular dynamics methods and QM/MM methods.
• Strong expertise in ligand-protein interactions.

Responsabilités

• Characterize a reactive enzyme/substrate interaction model.
• Conduct molecular modeling studies at varying precision.
• Design and implement study protocols on known cases.
• Establish molecular dynamics protocols for enzyme study.
• Develop QM/MM methods for studying enzyme reactivity.
• Contribute to discussions on the evolution of the subject.
• Participate in working groups related to the field.
• Present progress reports at monthly meetings.

Connaissances

Ligand-protein interactions

Molecular dynamics methods

QM/MM methods

Python programming

Formation

Ph.D. in chemistry or related field

Description du poste

Offer Description

This fixed‑term contract is part of the BioDLab joint laboratory between Michelin and the Clermont‑Ferrand Institute of Chemistry (ICCF), which studies the abiotic and biotic degradation of elastomeric tire materials. During a tire's lifespan, the tread material undergoes various stresses, primarily induced by friction with the road surface to ensure grip, which lead to the formation of wear particles. These rubber particles, which end up in the air, soil and aquatic environments, can constitute a major source of pollution, making it crucial to understand their fate in the environment.

As a postdoctoral researcher, you will work in the WP “Enzymatic Biodegradation” of BioDLab on a family of enzymes that degrade natural rubber (1,4‑cis polyisoprene) and will seek to understand their mechanism of action in relation to the experimental results obtained.

The responsibilities include:

• Characterizing a reactive enzyme/substrate interaction model that explains observed experimental results.
• Conducting molecular modeling studies at varying levels of precision: using force field (MF) modeling for interaction models between the target enzyme and different substrates; using quantum/classical mixed method (QMMM) to study the reaction pathway derived from the interaction model(s).
• Designing and implementing a study protocol on a known case, then applying it to new enzymes identified through experimental research.
• Establishing and developing molecular dynamics protocols for the study of the enzyme family.
• Establishing and developing QM/MM methods for studying the reactivity of target enzymes.
• Actively contributing to discussions on the evolution of the subject.
• Participating in internal and external working groups related to the field of activity.
• Presenting progress reports at monthly meetings.

The postdoctoral researcher will work at the Clermont‑Ferrand Institute of Chemistry (UMR CNRS 6296) on the Cézeaux Campus. The laboratory comprises approximately 300 people, roughly a third of whom are permanent staff, and is organized around six teams covering different disciplines of chemistry. You will be integrated into the molecular modeling department of the ICCF. For more information on the team and its expertise, visit the ICCF modeling service website: https://iccf.uca.fr/version-francaise/services/bio-organique/modelisati…

Qualifications

• Specialist in ligand‑protein interactions, with proven experience in molecular dynamics methods, QM/MM methods, and Python programming.
• Ph.D. in chemistry or related field (preferred).