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首页> 外文期刊>Acta crystallographica. Section D, Structural biology >Ab initio determination of the shape of membrane proteins in a nanodisc
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Ab initio determination of the shape of membrane proteins in a nanodisc

机译：从头开始测定膜的形状蛋白质在nanodisc

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摘要

New software, called Marbles, is introduced that employs SAXS intensities to predict the shape of membrane proteins embedded into membrane nanodiscs. To gain computational speed and efficient convergence, the strategy is based on a hybrid approach that allows one to account for the contribution of the nanodisc to the SAXS intensity through a semi-analytical model, while the embedded membrane protein is treated as a set of beads, similarly to as in well known ab initio methods. The reliability and flexibility of this approach is proved by benchmarking the code, implemented in C++ with a Python interface, on a toy model and two proteins with very different geometry and size.
机译：介绍了新软件,称为玻璃球,采用粉煤灰强度预测的形状膜蛋白嵌入膜nanodiscs。战略是基于有效的收敛混合方法,允许一个账户的贡献nanodisc一枝通过半解析模型,强度嵌入膜蛋白被视为一组的珠子,类似于众所周知的从头开始方法。方法是证明了基准测试代码,在c++和Python接口实现,在一个玩具模型和两种蛋白质非常不同几何形状和大小。

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