Multiscale approaches to investigate the conformational landscape of flexible protein assemblies: Deciphering the NADPH oxidase complex

PI:  Sophie Sacquin-Mora, co-PI: Antoine Taly

Laboratory of Theoretical Biochemistry

2-year contract

The NAPDH oxidase (NOX) complex is an important source of reactive oxygen species in the cell, and its regulation plays an important role in pathogen killing processes. NOX comprises several folded domains separated by flexible disordered linkers. The goal of the project is to develop a multiscale approach, using all-atom and coarse-grain representations, to investigate NOX dynamic properties. This model will help identify key residues that could be targeted when trying to modulate the complex activity.

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