-
Anomalous diffusion and dynamical correlation between the side chains and the...
International audience -
Molecular simulation on relationship between composition and microstructure o...
International audience -
Reactive Molecular Dynamics of the Initial Oxidation Stages of Ni(111) in Pur...
International audience -
Ruthenium nanoparticles in ionic liquids: structural and stability effects of...
International audience -
Theoretical study of the hydrated Gd3+ ion: Structure, dynamics, and charge t...
The dynamical processes taking place in the first coordination shells of the gadolinium (III) ion are important for improving the contrast agent efficiency in... -
Adsorption of Carbon Dioxide, Methane, and Their Mixtures in Porous Carbons: ...
International audience -
Development and validation of molecular modeling tool S4MPLE : application to...
This work aims to develop in silico methods targeting the key stages of Fragment-Based Drug Design (FBDD), participating to the development of the molecular modeling... -
Size dependence of the folding of multiply charged sodium cationized polylact...
International audience
