A combined EPR and MD simulation study of a nitroxyl spin label with restricted internal mobility sensitive to protein dynamics

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• 作者：Vasily S. Oganesyan ; ^{v.oganesyan@uea.ac.uk} ; Fatima Chami ; Gaye F. White ; Andrew J. Thomson
• 关键词：EPR spectroscopy ; Spin labels ; Molecular dynamics simulations ; MTSL ; Protein dynamics
• 刊名：Journal of Magnetic Resonance
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：274
• 期：Complete
• 页码：24-35
• 全文大小：3537 K
• 卷排序：274

文摘

Rn and MTSL (R1) protein spin labels by EPR and fully atomistic MD simulations. Comparative study between the motions of Rn and R1 attached to Myoglobin. Evidence for intrinsic low rotameric mobility of Rn spin label. Uncovering the potential for using Rn as a sensitive reporter of protein dynamics.