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The Influence of Protein Dynamics on the Success of Computational Enzyme Design

We characterize the molecular dynamics of a previously described computational de novo designed enzyme optimized to perform a multistep retrol-aldol reaction when engineered into a TIM barrel protein scaffold. The molecular dynamics simulations show that the protein dynamics under physiological cond...

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Main Authors: Ruscio, Jory Z., Kohn, Jonathan E., Ball, K. Aurelia, Head-Gordon, Teresa
格式: Artigo
語言:Inglês
出版: 2009
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2918245/
https://ncbi.nlm.nih.gov/pubmed/19788332
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja905396s
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