Offre de financement de thèse
SUBJECT OF THE THESIS:
This thesis project is concerned with the simulation and molecular modeling of microbial glycolipid membranes and their association and solubilisation of membrane proteins. Glycolipids are abundant constituents of biological membranes, where they are known to be involved in lipid lateral phase separation resulting, for example, in a local enrichment of membrane-anchored proteins, preferential membrane budding or selective ion attractivity. In particular, we are interested in microbial glycolipids (MG), which are biodegradable, non-toxic, carbohydrate-rich biocompatible glycosylated amphiphiles (also known as biosurfactants). These types of lipids have not been well investigated either with an experimental or theoretical approach. In this thesis we plan to work in close coordination with experimental laboratories to investigate the structural and mechanistic properties of a few MG, such as their membrane interdigitated structure, the headgroup/hydrophobic thickness, the distribution homogeneity of glucose and carboxyl headgroups of the MGs and its alkyl chain conformations and hydration. To achieve that we plan to use commonly available molecular dynamics and modeling codes such as gromacs to be used at high performance computing facilities. The successful candidate for this fully funded studentship will have a background in biophysics and molecular modeling and will be familiar with common script languages such as Python.
Candidate background: Candidates who have completed a master 2 in biophysics/chemistry/physics. Knowledge of rudiments of a programming language and/or script are highly appreciated.
Location: I2BC, CEA-Saclay – Ile-de-France – France
Subject title: Modeling and simulation of microbial glycolipids and their interactions with membrane proteins
Scientific field: Informatic, Physic, Biochemistry
Keywords: Molecular modeling, simulation, molecular dynamics, membranes, amphiphiles, membrane proteins