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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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Autors principals: Miao, Yinglong, Baudry, Jerome
Format: Artigo
Idioma:Inglês
Publicat: The Biophysical Society 2011
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Accés en línia: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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