CoMX Members

Permanent staff:

	Martin J. Field CEA Researcher		Yohann Moreau Université Grenoble Alpes Assistant Professor Ph.: 04 38 78 29 62
	Giulia Veronesi CNRS Researcher Ph.: 04 38 78 48 48		Ragnar Björnsson CEA Researcher Ph.: 04 38 78 29 63

Temporary and former team members:
• Omar El-Dahshan - PhD project 2021-2024
• Guanqi Wang - PhD project 2021-2024
• Jérémy Caburet - PhD project 2018-2021


Address
Laboratoire Chimie et Biologie des Métaux
CEA-Grenoble
17 avenue des Martyrs
38 054 Grenoble cedex 09


Inroduction
Our group brings together experts in computational and quantum chemistry methods (DFT, WFT, QM/MM), classical simulation (MD, Docking), and synchrotron X-ray techniques (XAS, XRF).

We make use of these methods to investigate the structure and reactivity of metalloenzymes, metal complexes, and metallic nanoparticles. We are involved in several collaborations with experimental chemists and biologists of the LCBM, as well as with local and international partners.


Keywords
Metalloenzymes, multiscale modelling, QM/MM, molecular dynamics simulations, bioenergetics, bio-inspired catalysis, interaction nanoparticles/biological systems, method development and software