Ontology highlight
ABSTRACT:
SUBMITTER: Basdevant N
PROVIDER: S-EPMC6823379 | biostudies-literature | 2019 Oct
REPOSITORIES: biostudies-literature
Basdevant Nathalie N Dessaux Delphine D Ramirez Rosa R
Scientific reports 20191031 1
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 solution was computed and compared with experimental results. Next, we studied the electrostatic behavior of a solvated CG lipid bilayer in salt solution under an external electric field. We showed this approach correctly describes the experimental conditions under a potential bias. Finally, we performed CG molecular dyna ...[more]