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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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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2011
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| Assuntos: | |
| Acesso em linha: | 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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