Missions

We are seeking a highly motivated researcher associate (M/F) with strong background in computational structural biology. The successful candidate will be working on developing AI-based computational approaches for modelling protein structures and protein-ligand (metabolite) interactions. Using multi-scale molecular models, we aim to predict the structural features of gibberellin (GA) transporters, a key phytohormone involved in various growth processes throughout the plant life cycle. Main objectives will be the prediction of GA-binding residues, their validation using molecular analysis, and the screening for novel GA transporters based on their structural characteristics.

Activités

Main activities:
-Conduct multiple sequence alignment of plant transporters using phylogeny-aware profiles
-Computationally predict and then analyze high-confidence 3D structures of GA transporters and their complexes (using AlphaFold2/AF2-multimer, AF3 Server, DMFold, DeepMSA2, amongst others)
-Predict the spatial position of the GA ligand in the internal cavity of the transporters using molecular docking tools (e.g., AutoDock Vina/GNINA, DiffDock, or EquiBind)
-Explore the potential molecular determinants involved in GA recognition and identify the most relevant GA-binding residues (structural visualization and analysis in ChimeraX)
-Predict novel GA transporters and their directional transport activity
-Work independently and responsibly in a multidisciplinary team environment

Secondary activities:
-Participate in the general functioning of the laboratory
-Contribute to group meetings, and the dissemination of scientific knowledge within the team
-Work closely with other members of the project on experimental validation

Compétences

The researcher (M/F) should have a PhD in computational biology or a related field with the focus on protein structural modelling and/or protein-ligand interactions. Command-line skills for the installation, use and comparison of key tools will be a prerequisite (i.e., familiarity with linux, bash, conda, python). Experience in molecular dynamics simulation, protein chemistry or phylogenetics would be major assets. An interest in developing wet lab skills to experimentally test predicted models would be appreciated.

Contexte de travail

This research will be conducted in the group of Dr. Patrick Achard, at the institut de biologie moléculaire des plantes (IBMP, UPR2357), in close collaboration with the plant molecular geneticists of the ANR project MOVE. The IBMP is one of the largest CNRS institute dedicated to plant biology, located on the Esplanade campus of the University of Strasbourg. The IBMP conducts cutting-edge research aimed at addressing challenges in nutrition, health and the environment through the study of fundamental processes in plant life.
The researcher will have an office space with a computer and a suitable technical environment. The IBMP is accessible by public transport. On-site cycle parking facilities and staff catering.

Contraintes et risques

No specific risks