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A computational study of water and CO migration sites and channels inside myoglobin
Pathways are computed for transport of H(2)O and CO in myoglobin (Mb), using the single sweep and zero-temperature string methods in a fully atomistic, explicitly solvated model system. Our predictions of sites and barriers in the pathways for CO transport agree with previous studies. For H(2)O, we...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3596811/ https://ncbi.nlm.nih.gov/pubmed/23505344 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300862j |
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