2 papers
cond-mat.soft2022
Current rectification and ionic selectivity of alpha-hemolysin: Coarse-Grained Molecular Dynamics simulations
Delphine Dessaux, Jérôme Mathé, Rosa Ramirez +1
In order to understand the physical processes of nanopore experiments at the molecular level, microscopic information from molecular dynamics is greatly needed. Coarse-grained mode…
physics.bio-ph2018
Ionic transport through a protein nanopore: a Coarse-Grained Molecular Dynamics Study
Basdevant Nathalie, Dessaux Delphine, Ramirez Rosa
The MARTINI coarse-grained (CG) force field is used to test the ability of CG models to simulate ionic transport through protein nanopores. The ionic conductivity of CG ions in sol…