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Ion Selectivity of α-Hemolysin with β-Cyclodextrin Adapter: II. Multi-Ion Effects Studied with Grand Canonical Monte Carlo/Brownian Dynamics Simulations
In a previous study of ion selectivity of α-hemolysin (αHL) in complex with β-cyclodextrin (βCD) adapter we calculated the potential of mean force (PMF) and characterized the self-diffusion coefficients of isolated K(+) and Cl(−) ions using molecular dynamics simulations [Y. Luo et al. Ion Selectivi...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2843906/ https://ncbi.nlm.nih.gov/pubmed/20146515 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp906791b |
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