Ionic transport through a protein nanopore: a Coarse-Grained Molecular Dynamics Study

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...

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Veröffentlicht in:	arXiv.org 2018-10
Hauptverfasser:	Basdevant Nathalie, Dessaux Delphine, Ramirez, Rosa
Format:	Artikel
Sprache:	eng
Schlagworte:	Computation Computer simulation Electric fields Ion currents Lipids Molecular dynamics Porosity Proteins Saline solutions Volt-ampere characteristics
Online-Zugang:	Volltext
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