Missions

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. Indeed, 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 environ-ments, can constitute a major source of pollution, making it crucial to understand their fate in the environment.
The postdoctoral researcher will work in the WP “Enzymatic Biodegradation” of BioDLab on a family of enzymes known to degrade natural rubber (1,4-cis polyisoprene) and will seek to understand their mechanism of action in relation to the experimental results obtained.
The postdoctoral researcher will be tasked with characterizing a reactive enzyme/substrate interaction model that explains the observed experimental results. He/She will conduct molecular model-ing 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).
He/She will be responsible for designing and implementing a study protocol on a known case, which will then be applied to new enzymes identified through experimental research.

Activities

. • Establish and develop molecular dynamics protocols for the study of an enzyme family.
• Establish and develop QM/MM methods for studying the reactivity of target enzymes.
• Actively contribute to discussions on the evolution of the subject.
• Participate in internal and external working groups related to the field of activity.
• Present progress reports at monthly meetings.

Skills

We are looking for a specialist in ligand-protein interactions, with proven experience in molecular dynamics methods as well as QM/MM methods and Python programming.

Work Context

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 6 teams covering the different disciplines of chemistry (organic and medicinal, bio-organic, inorganic, and physical). The re-searcher will be integrated more specifically into the molecular modeling department of the ICCF. To learn more about the staff, techniques, and expertise of the modeling service, applicants can visit the ICCF modeling service website: https://iccf.uca.fr/version-francaise/services/bio-organique/modelisation-moleculaire#/admin