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Deconvolution of a multi-component interaction network using systems chemistry

机译:使用系统化学对多组分相互作用网络进行反卷积

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We describe the stepwise construction of an 8-component self-sorted system ( 1 - 8 ) by the sequential addition of components. This process occurs via a large number of states (28 = 256) and even a larger number of pathways (8! = 40320). A pathway ( 5 , 6 , 7 , 8 , 4 , 3 , 2 , then 1 ) that is self-sorted at every step along the way has been demonstrated experimentally. Another pathway ( 1 , 8 , 3 , 5 , 4 , 7 , 2 , then 6 ) resembles a game of musical chairs and exhibits interesting shuttling of guest molecules among hosts. The majority of pathways - unlike the special ones described above - proceed through several non self-sorted states. We characterized the remainder of the 40320 pathways by simulation using Gepasi and describe the influence of concentration and binding constants on the fidelity of the self-sorting pathways.
机译:我们通过依次添加组件来描述8组件自分类系统(1-8)的逐步构造。此过程通过大量状态(2 8 = 256)甚至更大数量的路径(8!= 40320)发生。实验证明了在此过程的每个步骤中都会自动分类的路径(5、6、7、8、4、3、2,然后是1)。另一个途径(1、8、3、5、4、7、2,然后是6)类似于音乐椅游戏,并且表现出宿主分子中客体分子的有趣穿梭。与上述特殊路径不同,大多数路径都是通过几个非自分类状态进行的。我们通过使用Gepasi进行模拟来表征了40320条途径的其余部分,并描述了浓度和结合常数对自分选途径保真度的影响。

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