Unifying Single-Channel Permeability From Rare-Event Sampling and Steady-State Flux

Various all-atom molecular dynamics (MD) simulation methods have been developed to compute free energies and crossing rates of ions and small molecules through ion channels. However, a systemic comparison across different methods is scarce. Using a carbon nanotube as a model of small conductance ion...

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Detalles Bibliográficos
Autores principales: Lin, Yi-Chun, Luo, Yun Lyna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9043130/
https://www.ncbi.nlm.nih.gov/pubmed/35495625
http://dx.doi.org/10.3389/fmolb.2022.860933

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9043130/
https://www.ncbi.nlm.nih.gov/pubmed/35495625
http://dx.doi.org/10.3389/fmolb.2022.860933

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