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Remarkable patterns of surface water ordering around polarized buckminsterfullerene
Accurate description of water structure affects simulation of protein folding, substrate binding, macromolecular recognition, and complex formation. We study the hydration of buckminsterfullerene, the smallest hydrophobic nanosphere, by molecular dynamics simulations using a state-of-the-art quantum...
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| Autors principals: | , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2011
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3167499/ https://ncbi.nlm.nih.gov/pubmed/21844369 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1110626108 |
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