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MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site
[Image: see text] Squalene–hopene cyclase catalyzes the cyclization of squalene to hopanoids. A previous study has identified a network of tunnels in the protein, where water molecules have been indicated to move. Blocking these tunnels by site-directed mutagenesis was found to change the activation...
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| Publicado no: | ACS Omega |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2017
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6645472/ https://ncbi.nlm.nih.gov/pubmed/31457386 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.7b01084 |
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