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Active-Site Hydration and Water Diffusion in Cytochrome P450cam: A Highly Dynamic Process
Long-timescale molecular dynamics simulations (300 ns) are performed on both the apo- (i.e., camphor-free) and camphor-bound cytochrome P450cam (CYP101). Water diffusion into and out of the protein active site is observed without biased sampling methods. During the course of the molecular dynamics s...
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| 主要な著者: | , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
The Biophysical Society
2011
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3177059/ https://ncbi.nlm.nih.gov/pubmed/21943431 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2011.08.020 |
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