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Water Nanoconfined in a Hydrophobic Pore: Molecular Dynamics Simulations of Transmembrane Protein 175 and the Influence of Water Models
Water molecules within biological ion channels are in a nano-confined environment and therefore exhibit behaviours which differ from that of bulk water. Here, we investigate the phenomenon of hydrophobic gating, the process by which a nanopore may spontaneously de-wet to form a ‘vapour lock’ if the...
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| Publicat a: | ACS Nano |
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| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2021
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7612143/ https://ncbi.nlm.nih.gov/pubmed/34784172 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsnano.1c06443 |
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