Construction of Orthogonal CC-sets
Construction of Orthogonal CC-sets
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DOI：
10.31449/inf.v43i1.2693
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发表时间：
2019-03-01
期刊：
影响因子：
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通讯作者：
Jovicic, Vladan
中科院分区：
文献类型：
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作者：
Brodnik, Andrej;Palangetic, Marko;Jovicic, Vladan
在本文中，我们提出了一个图论方法计算一组卷曲螺旋肽的最大正交子集。在化学中，一组正交肽被定义为一组成对的肽，其中成对的肽只相互作用，而不与任何其他肽对中的任何其他肽相互作用。然后，我们使用一个相对知名的最大独立集求解算法，结果证明是最适合我们的问题。我们从初始的5-heptade集合获得了由29个肽（同源二聚体和异源二聚体）组成的正交集合。如果我们只允许异二聚体相互作用，我们得到一组正交的26肽。
In this paper we present a graph-theoretical method for computing the maximum orthogonal subset of a set of coiled-coil peptides. In chemistry, an orthogonal set of peptides is defined as a set of pairs of peptides, where the paired peptides interact only mutually and not with any other peptide from any other pair.The main method used is a reduction to the maximum independent set problem. Then we use a relatively well-known maximum independent set solving algorithm which turned out to be the best suited for our problem. We obtained an orthogonal set consisting of 29 peptides (homodimeric and heterodimeric) from initial 5-heptade set. If we allow only heterodimeric interactions we obtain an orthogonal set of 26 peptides.