Model selection for the interpretation of protein side chain methyl dynamics
Model selection for the interpretation of protein side chain methyl dynamics
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DOI：
10.1023/a:1023065310430
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发表时间：
2003-04-01
影响因子：
2.7
通讯作者：
Kay, LE
中科院分区：
文献类型：
--
作者：
Choy, WY;Kay, LE
一些不同的动力学模型被认为是拟合C-13和H-2侧链甲基弛豫速率。结果表明，在纳秒时间尺度动力学存在的情况下，扩展的Lipari-Szabo模型，其中明确参数化，包括慢动作的影响，可以产生广泛的分布的拟合参数，即使在错误相对较小的情况下，大量的松弛率被认为是。相比之下，使用该模型拟合N-15主链动力学要稳健得多。这种差异的起源进行了分析，并可以解释在这两种情况下的谱密度的不同的函数形式。一些模型的甲基侧链动力学分析的效用。
A number of different dynamics models are considered for fitting C-13 and H-2 side chain methyl relaxation rates. It is shown that in cases where nanosecond time scale dynamics are present the extended Lipari-Szabo model which is explicitly parameterized to include the effects of slow motions can produce wide distributions of fitting parameters even in cases where the errors are relatively small and large numbers of relaxation rates are considered. In contrast, fits of N-15 backbone dynamics using this model are far more robust. The origin of this difference is analyzed and can be explained by the different functional forms of the spectral density in these two cases. The utility of a number of models for the analysis of methyl side chain dynamics is presented.