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用于HP晶格模型中蛋白质折叠问题的分支定界算法。

A branch and bound algorithm for the protein folding problem in the HP lattice model.

作者信息

Chen Mao, Huang Wen Qi

机构信息

School of Computer Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, China.

出版信息

Genomics Proteomics Bioinformatics. 2005 Nov;3(4):225-30. doi: 10.1016/s1672-0229(05)03031-7.

DOI:10.1016/s1672-0229(05)03031-7
PMID:16689690
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5172541/
Abstract

A branch and bound algorithm is proposed for the two-dimensional protein folding problem in the HP lattice model. In this algorithm, the benefit of each possible location of hydrophobic monomers is evaluated and only promising nodes are kept for further branching at each level. The proposed algorithm is compared with other well-known methods for 10 benchmark sequences with lengths ranging from 20 to 100 monomers. The results indicate that our method is a very efficient and promising tool for the protein folding problem.

摘要

针对HP格点模型中的二维蛋白质折叠问题,提出了一种分支定界算法。在该算法中,对疏水单体每个可能位置的益处进行评估,并且在每一层仅保留有前景的节点用于进一步分支。将所提出的算法与其他知名方法针对长度从20到100个单体的10个基准序列进行比较。结果表明,我们的方法是解决蛋白质折叠问题的一种非常高效且有前景的工具。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/1fcaef7cbae8/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/5cb4ea0e5b24/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/43f64c2019fe/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/82088a58a5c5/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/d5fa8cc9e183/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/1fcaef7cbae8/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/5cb4ea0e5b24/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/43f64c2019fe/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/82088a58a5c5/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/d5fa8cc9e183/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2e/5172541/1fcaef7cbae8/gr5.jpg

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