作者
Christophe Guyeux, Nathalie M-L Côté, Jacques M Bahi, Wojciech Bienia
发表日期
2014/2/27
期刊
Journal of bioinformatics and computational biology
卷号
12
期号
01
页码范围
1350017
出版商
Imperial College Press
简介
To determine the 3D conformation of proteins is a necessity to understand their functions or interactions with other molecules. It is commonly admitted that, when proteins fold from their primary linear structures to their final 3D conformations, they tend to choose the ones that minimize their free energy. To find the 3D conformation of a protein knowing its amino acid sequence, bioinformaticians use various models of different resolutions and artificial intelligence tools, as the protein folding prediction problem is a NP complete one. More precisely, to determine the backbone structure of the protein using the low resolution models (2D HP square and 3D HP cubic), by finding the conformation that minimizes free energy, is intractable exactly. Both proofs of NP-completeness and the 2D prediction consider that acceptable conformations have to satisfy a self-avoiding walk (SAW) requirement, as two different amino acids …
引用总数
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学术搜索中的文章
C Guyeux, NML Côté, JM Bahi, W Bienia - Journal of bioinformatics and computational biology, 2014