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On the Utilization of Energy Minimization to the Study of Ion Selectivity
The major pitfalls in studying ion selectivity in binding site models using energy minimization based methods are examined and discussed. It is shown that the properties derived from energy minimization are strongly configuration-dependent and that the results should be interpreted with caution. It...
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| Auteurs principaux: | , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
The Biophysical Society
2009
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2764064/ https://ncbi.nlm.nih.gov/pubmed/19843443 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2009.08.005 |
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