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An upper bound for number of contacts in the HP-model on the face-centered-cubic lattice

机译:面对面立方格晶格中HP模型中的触点数的上限

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Lattice protein models are a major tool for investigating principles of protein folding. For this purpose, one needs an algorithm that is guaranteed to find the minimal energy conformation in some lattice model (at least for some sequences). So far, there are only algorithm that can find optimal conformations in the cubic lattice. In the more interesting case of the face-centered-cubic lattice (FCC), which is more protein-like, there are no results. One of the reasons is that for finding optimal conformations, one usually applies a branch-and-bound technique, and there are no reasonable bounds known for the FCC. We will give such a bound for Dill's HP-model on the FCC.
机译:格子蛋白质模型是研究蛋白质折叠原理的主要工具。为此目的,需要一种算法,保证在一些晶格模型中找到最小的能量构象(至少对于一些序列)。到目前为止,只有算法可以在立方格晶格中找到最佳构象。在以脸部中心立方格(FCC)的更有趣的情况下,这是更像蛋白质的,没有结果。其中一个原因是,为了找到最佳构象,通常应用分支和绑定技术,并且没有针对FCC了解的合理界限。我们将为FCC提供迪尔的HP模型的必要性。

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